(3S)-4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-[(1-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(morpholin-4-ylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide

C130H157Cl5N30O19 — CID 157299678

About (3S)-4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-[(1-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(morpholin-4-ylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide

(3S)-4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-[(1-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(morpholin-4-ylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide (PubChem CID 157299678) has the molecular formula C130H157Cl5N30O19 and a molecular weight of 2621.14 g/mol. Its IUPAC name is (3S)-4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-[(1-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(morpholin-4-ylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-[(1-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(morpholin-4-ylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide
• PubChem CID: 157299678
• Molecular Formula: C130H157Cl5N30O19
• Molecular Weight: 2621.14 g/mol
• Exact Mass: 2617.07
• IUPAC Name: (3S)-4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-[(1-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(morpholin-4-ylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide
• SMILES: CC1(C)CN(CC(=O)N2CCC(C(N)=O)CC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)N2CCC(N)CC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)N2CCC3(CCNC3=O)CC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)NC2(C(N)=O)CCCCC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)NN2CCOCC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1
• InChI: InChI=1S/C28H33ClN6O4.C27H33ClN6O4.C26H31ClN6O4.C25H31ClN6O3.C24H29ClN6O4/c1-27(2)16-35(14-23(36)34-9-5-28(6-10-34)4-8-31-26(28)38)22(15-39-27)25(37)33-20-12-17(29)11-19-18-3-7-30-13-21(18)32-24(19)20;1-26(2)15-34(13-22(35)33-27(25(29)37)7-4-3-5-8-27)21(14-38-26)24(36)32-19-11-16(28)10-18-17-6-9-30-12-20(17)31-23(18)19;1-26(2)14-33(12-22(34)32-7-4-15(5-8-32)24(28)35)21(13-37-26)25(36)31-19-10-16(27)9-18-17-3-6-29-11-20(17)30-23(18)19;1-25(2)14-32(12-22(33)31-7-4-16(27)5-8-31)21(13-35-25)24(34)30-19-10-15(26)9-18-17-3-6-28-11-20(17)29-23(18)19;1-24(2)14-30(12-21(32)29-31-5-7-34-8-6-31)20(13-35-24)23(33)28-18-10-15(25)9-17-16-3-4-26-11-19(16)27-22(17)18/h3,7,11-13,22,32H,4-6,8-10,14-16H2,1-2H3,(H,31,38)(H,33,37);6,9-12,21,31H,3-5,7-8,13-15H2,1-2H3,(H2,29,37)(H,32,36)(H,33,35);3,6,9-11,15,21,30H,4-5,7-8,12-14H2,1-2H3,(H2,28,35)(H,31,36);3,6,9-11,16,21,29H,4-5,7-8,12-14,27H2,1-2H3,(H,30,34);3-4,9-11,20,27H,5-8,12-14H2,1-2H3,(H,28,33)(H,29,32)/t22-;3*21-;20-/m00000/s1
• InChIKey: BBTHOMIXOSJQOY-CSZUQTOISA-N
• XLogP: 13.41
• TPSA: 624.15 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2621.14
LogP ≤ 5	13.41
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-[(1-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(morpholin-4-ylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide?

The IUPAC name of (3S)-4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-[(1-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(morpholin-4-ylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide (CID 157299678) is (3S)-4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-[(1-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(morpholin-4-ylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide.

What is the SMILES notation for (3S)-4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-[(1-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(morpholin-4-ylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide?

The canonical SMILES for (3S)-4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-[(1-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(morpholin-4-ylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide is CC1(C)CN(CC(=O)N2CCC(C(N)=O)CC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)N2CCC(N)CC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)N2CCC3(CCNC3=O)CC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)NC2(C(N)=O)CCCCC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.CC1(C)CN(CC(=O)NN2CCOCC2)[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1.

What is the InChIKey of (3S)-4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-[(1-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(morpholin-4-ylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide?

The InChIKey is BBTHOMIXOSJQOY-CSZUQTOISA-N. The full InChI is InChI=1S/C28H33ClN6O4.C27H33ClN6O4.C26H31ClN6O4.C25H31ClN6O3.C24H29ClN6O4/c1-27(2)16-35(14-23(36)34-9-5-28(6-10-34)4-8-31-26(28)38)22(15-39-27)25(37)33-20-12-17(29)11-19-18-3-7-30-13-21(18)32-24(19)20;1-26(2)15-34(13-22(35)33-27(25(29)37)7-4-3-5-8-27)21(14-38-26)24(36)32-19-11-16(28)10-18-17-6-9-30-12-20(17)31-23(18)19;1-26(2)14-33(12-22(34)32-7-4-15(5-8-32)24(28)35)21(13-37-26)25(36)31-19-10-16(27)9-18-17-3-6-29-11-20(17)30-23(18)19;1-25(2)14-32(12-22(33)31-7-4-16(27)5-8-31)21(13-35-25)24(34)30-19-10-15(26)9-18-17-3-6-28-11-20(17)29-23(18)19;1-24(2)14-30(12-21(32)29-31-5-7-34-8-6-31)20(13-35-24)23(33)28-18-10-15(25)9-17-16-3-4-26-11-19(16)27-22(17)18/h3,7,11-13,22,32H,4-6,8-10,14-16H2,1-2H3,(H,31,38)(H,33,37);6,9-12,21,31H,3-5,7-8,13-15H2,1-2H3,(H2,29,37)(H,32,36)(H,33,35);3,6,9-11,15,21,30H,4-5,7-8,12-14H2,1-2H3,(H2,28,35)(H,31,36);3,6,9-11,16,21,29H,4-5,7-8,12-14,27H2,1-2H3,(H,30,34);3-4,9-11,20,27H,5-8,12-14H2,1-2H3,(H,28,33)(H,29,32)/t22-;3*21-;20-/m00000/s1.

What are the key properties of (3S)-4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-[(1-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(morpholin-4-ylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide?

(3S)-4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-[(1-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(morpholin-4-ylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide has a molecular weight of 2621.14 g/mol, XLogP of 13.41, 24 rotatable bonds, 16 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-4-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-[(1-carbamoylcyclohexyl)amino]-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethylmorpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-(morpholin-4-ylamino)-2-oxoethyl]morpholine-3-carboxamide;(3S)-N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-6,6-dimethyl-4-[2-oxo-2-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 157299678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).