N-[1-(1-acetylpiperidin-4-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-1H-indole-2-carboxamide;1-(5-chloro-1H-indol-2-yl)-3-cyclopropyl-3-(4-methyl-2-pyridinyl)propan-1-one;5-chloro-N-[1-(oxan-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,3-oxazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-N-methyl-2-N-(1-phenylethyl)-1H-indole-2,5-dicarboxamide

C127H137Cl6N19O13 — CID 158115682

IUPACN-[1-(1-acetylpiperidin-4-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-1H-indole-2-carboxamide;1-(5-chloro-1H-indol-2-yl)-3-cyclopropyl-3-(4-methyl-2-pyridinyl)propan-1-one;5-chloro-N-[1-(oxan-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,3-oxazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-N-methyl-2-N-(1-phenylethyl)-1H-indole-2,5-dicarboxamide
SMILESCC(=O)N1CCC(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCOCC1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(OCCN(C)C)cc1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ncco1.CNC(=O)c1ccc2[nH]c(C(=O)NC(C)c3ccccc3)cc2c1.Cc1ccnc(C(CC(=O)c2cc3cc(Cl)ccc3[nH]2)C2CC2)c1.O=C(NCC1CCCN(C(=O)C2CC2)C1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C21H24ClN3O2.C20H19ClN2O.C19H22ClN3O2.C19H19N3O2.C18H22ClN3O2.C16H19ClN2O2.C14H12ClN3O2/c1-14(15-4-7-18(8-5-15)27-11-10-25(2)3)23-21(26)20-13-16-12-17(22)6-9-19(16)24-20;1-12-6-7-22-18(8-12)16(13-2-3-13)11-20(24)19-10-14-9-15(21)4-5-17(14)23-19;20-15-5-6-16-14(8-15)9-17(22-16)18(24)21-10-12-2-1-7-23(11-12)19(25)13-3-4-13;1-12(13-6-4-3-5-7-13)21-19(24)17-11-15-10-14(18(23)20-2)8-9-16(15)22-17;1-11(13-5-7-22(8-6-13)12(2)23)20-18(24)17-10-14-9-15(19)3-4-16(14)21-17;1-10(11-4-6-21-7-5-11)18-16(20)15-9-12-8-13(17)2-3-14(12)19-15;1-8(14-16-4-5-20-14)17-13(19)12-7-9-6-10(15)2-3-11(9)18-12/h4-9,12-14,24H,10-11H2,1-3H3,(H,23,26);4-10,13,16,23H,2-3,11H2,1H3;5-6,8-9,12-13,22H,1-4,7,10-11H2,(H,21,24);3-12,22H,1-2H3,(H,20,23)(H,21,24);3-4,9-11,13,21H,5-8H2,1-2H3,(H,20,24);2-3,8-11,19H,4-7H2,1H3,(H,18,20);2-8,18H,1H3,(H,17,19)
InChIKeyFQYZTAAWITXPCI-UHFFFAOYSA-N
MW2350.33 g/mol
LogP25.63
Rot. Bonds29

About N-[1-(1-acetylpiperidin-4-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-1H-indole-2-carboxamide;1-(5-chloro-1H-indol-2-yl)-3-cyclopropyl-3-(4-methyl-2-pyridinyl)propan-1-one;5-chloro-N-[1-(oxan-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,3-oxazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-N-methyl-2-N-(1-phenylethyl)-1H-indole-2,5-dicarboxamide

N-[1-(1-acetylpiperidin-4-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-1H-indole-2-carboxamide;1-(5-chloro-1H-indol-2-yl)-3-cyclopropyl-3-(4-methyl-2-pyridinyl)propan-1-one;5-chloro-N-[1-(oxan-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,3-oxazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-N-methyl-2-N-(1-phenylethyl)-1H-indole-2,5-dicarboxamide (PubChem CID 158115682) has the molecular formula C127H137Cl6N19O13 and a molecular weight of 2350.33 g/mol. Its IUPAC name is N-[1-(1-acetylpiperidin-4-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-1H-indole-2-carboxamide;1-(5-chloro-1H-indol-2-yl)-3-cyclopropyl-3-(4-methyl-2-pyridinyl)propan-1-one;5-chloro-N-[1-(oxan-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,3-oxazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-N-methyl-2-N-(1-phenylethyl)-1H-indole-2,5-dicarboxamide.

Molecular Properties

Compound NameN-[1-(1-acetylpiperidin-4-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-1H-indole-2-carboxamide;1-(5-chloro-1H-indol-2-yl)-3-cyclopropyl-3-(4-methyl-2-pyridinyl)propan-1-one;5-chloro-N-[1-(oxan-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,3-oxazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-N-methyl-2-N-(1-phenylethyl)-1H-indole-2,5-dicarboxamide
PubChem CID158115682
Molecular FormulaC127H137Cl6N19O13
Molecular Weight2350.33 g/mol
Exact Mass2345.88
IUPAC NameN-[1-(1-acetylpiperidin-4-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-1H-indole-2-carboxamide;1-(5-chloro-1H-indol-2-yl)-3-cyclopropyl-3-(4-methyl-2-pyridinyl)propan-1-one;5-chloro-N-[1-(oxan-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,3-oxazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-N-methyl-2-N-(1-phenylethyl)-1H-indole-2,5-dicarboxamide
SMILESCC(=O)N1CCC(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCOCC1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(OCCN(C)C)cc1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ncco1.CNC(=O)c1ccc2[nH]c(C(=O)NC(C)c3ccccc3)cc2c1.Cc1ccnc(C(CC(=O)c2cc3cc(Cl)ccc3[nH]2)C2CC2)c1.O=C(NCC1CCCN(C(=O)C2CC2)C1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C21H24ClN3O2.C20H19ClN2O.C19H22ClN3O2.C19H19N3O2.C18H22ClN3O2.C16H19ClN2O2.C14H12ClN3O2/c1-14(15-4-7-18(8-5-15)27-11-10-25(2)3)23-21(26)20-13-16-12-17(22)6-9-19(16)24-20;1-12-6-7-22-18(8-12)16(13-2-3-13)11-20(24)19-10-14-9-15(21)4-5-17(14)23-19;20-15-5-6-16-14(8-15)9-17(22-16)18(24)21-10-12-2-1-7-23(11-12)19(25)13-3-4-13;1-12(13-6-4-3-5-7-13)21-19(24)17-11-15-10-14(18(23)20-2)8-9-16(15)22-17;1-11(13-5-7-22(8-6-13)12(2)23)20-18(24)17-10-14-9-15(19)3-4-16(14)21-17;1-10(11-4-6-21-7-5-11)18-16(20)15-9-12-8-13(17)2-3-14(12)19-15;1-8(14-16-4-5-20-14)17-13(19)12-7-9-6-10(15)2-3-11(9)18-12/h4-9,12-14,24H,10-11H2,1-3H3,(H,23,26);4-10,13,16,23H,2-3,11H2,1H3;5-6,8-9,12-13,22H,1-4,7,10-11H2,(H,21,24);3-12,22H,1-2H3,(H,20,23)(H,21,24);3-4,9-11,13,21H,5-8H2,1-2H3,(H,20,24);2-3,8-11,19H,4-7H2,1H3,(H,18,20);2-8,18H,1H3,(H,17,19)
InChIKeyFQYZTAAWITXPCI-UHFFFAOYSA-N
XLogP25.63
TPSA432.54 Ų
H-Bond Donors14
H-Bond Acceptors16
Rotatable Bonds29
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002350.33
LogP ≤ 525.63
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1016

Analyze N-[1-(1-acetylpiperidin-4-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-1H-indole-2-carboxamide;1-(5-chloro-1H-indol-2-yl)-3-cyclopropyl-3-(4-methyl-2-pyridinyl)propan-1-one;5-chloro-N-[1-(oxan-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,3-oxazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-N-methyl-2-N-(1-phenylethyl)-1H-indole-2,5-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-acetylpiperidin-4-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-1H-indole-2-carboxamide;1-(5-chloro-1H-indol-2-yl)-3-cyclopropyl-3-(4-methyl-2-pyridinyl)propan-1-one;5-chloro-N-[1-(oxan-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,3-oxazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-N-methyl-2-N-(1-phenylethyl)-1H-indole-2,5-dicarboxamide?
The IUPAC name of N-[1-(1-acetylpiperidin-4-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-1H-indole-2-carboxamide;1-(5-chloro-1H-indol-2-yl)-3-cyclopropyl-3-(4-methyl-2-pyridinyl)propan-1-one;5-chloro-N-[1-(oxan-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,3-oxazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-N-methyl-2-N-(1-phenylethyl)-1H-indole-2,5-dicarboxamide (CID 158115682) is N-[1-(1-acetylpiperidin-4-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-1H-indole-2-carboxamide;1-(5-chloro-1H-indol-2-yl)-3-cyclopropyl-3-(4-methyl-2-pyridinyl)propan-1-one;5-chloro-N-[1-(oxan-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,3-oxazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-N-methyl-2-N-(1-phenylethyl)-1H-indole-2,5-dicarboxamide.
What is the SMILES notation for N-[1-(1-acetylpiperidin-4-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-1H-indole-2-carboxamide;1-(5-chloro-1H-indol-2-yl)-3-cyclopropyl-3-(4-methyl-2-pyridinyl)propan-1-one;5-chloro-N-[1-(oxan-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,3-oxazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-N-methyl-2-N-(1-phenylethyl)-1H-indole-2,5-dicarboxamide?
The canonical SMILES for N-[1-(1-acetylpiperidin-4-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-1H-indole-2-carboxamide;1-(5-chloro-1H-indol-2-yl)-3-cyclopropyl-3-(4-methyl-2-pyridinyl)propan-1-one;5-chloro-N-[1-(oxan-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,3-oxazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-N-methyl-2-N-(1-phenylethyl)-1H-indole-2,5-dicarboxamide is CC(=O)N1CCC(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCOCC1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(OCCN(C)C)cc1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ncco1.CNC(=O)c1ccc2[nH]c(C(=O)NC(C)c3ccccc3)cc2c1.Cc1ccnc(C(CC(=O)c2cc3cc(Cl)ccc3[nH]2)C2CC2)c1.O=C(NCC1CCCN(C(=O)C2CC2)C1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of N-[1-(1-acetylpiperidin-4-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-1H-indole-2-carboxamide;1-(5-chloro-1H-indol-2-yl)-3-cyclopropyl-3-(4-methyl-2-pyridinyl)propan-1-one;5-chloro-N-[1-(oxan-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,3-oxazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-N-methyl-2-N-(1-phenylethyl)-1H-indole-2,5-dicarboxamide?
The InChIKey is FQYZTAAWITXPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2.C20H19ClN2O.C19H22ClN3O2.C19H19N3O2.C18H22ClN3O2.C16H19ClN2O2.C14H12ClN3O2/c1-14(15-4-7-18(8-5-15)27-11-10-25(2)3)23-21(26)20-13-16-12-17(22)6-9-19(16)24-20;1-12-6-7-22-18(8-12)16(13-2-3-13)11-20(24)19-10-14-9-15(21)4-5-17(14)23-19;20-15-5-6-16-14(8-15)9-17(22-16)18(24)21-10-12-2-1-7-23(11-12)19(25)13-3-4-13;1-12(13-6-4-3-5-7-13)21-19(24)17-11-15-10-14(18(23)20-2)8-9-16(15)22-17;1-11(13-5-7-22(8-6-13)12(2)23)20-18(24)17-10-14-9-15(19)3-4-16(14)21-17;1-10(11-4-6-21-7-5-11)18-16(20)15-9-12-8-13(17)2-3-14(12)19-15;1-8(14-16-4-5-20-14)17-13(19)12-7-9-6-10(15)2-3-11(9)18-12/h4-9,12-14,24H,10-11H2,1-3H3,(H,23,26);4-10,13,16,23H,2-3,11H2,1H3;5-6,8-9,12-13,22H,1-4,7,10-11H2,(H,21,24);3-12,22H,1-2H3,(H,20,23)(H,21,24);3-4,9-11,13,21H,5-8H2,1-2H3,(H,20,24);2-3,8-11,19H,4-7H2,1H3,(H,18,20);2-8,18H,1H3,(H,17,19).
What are the key properties of N-[1-(1-acetylpiperidin-4-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-1H-indole-2-carboxamide;1-(5-chloro-1H-indol-2-yl)-3-cyclopropyl-3-(4-methyl-2-pyridinyl)propan-1-one;5-chloro-N-[1-(oxan-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,3-oxazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-N-methyl-2-N-(1-phenylethyl)-1H-indole-2,5-dicarboxamide?
N-[1-(1-acetylpiperidin-4-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-1H-indole-2-carboxamide;1-(5-chloro-1H-indol-2-yl)-3-cyclopropyl-3-(4-methyl-2-pyridinyl)propan-1-one;5-chloro-N-[1-(oxan-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,3-oxazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-N-methyl-2-N-(1-phenylethyl)-1H-indole-2,5-dicarboxamide has a molecular weight of 2350.33 g/mol, XLogP of 25.63, 29 rotatable bonds, 14 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-acetylpiperidin-4-yl)ethyl]-5-chloro-1H-indole-2-carboxamide;5-chloro-N-[[1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-1H-indole-2-carboxamide;1-(5-chloro-1H-indol-2-yl)-3-cyclopropyl-3-(4-methyl-2-pyridinyl)propan-1-one;5-chloro-N-[1-(oxan-4-yl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-(1,3-oxazol-2-yl)ethyl]-1H-indole-2-carboxamide;5-N-methyl-2-N-(1-phenylethyl)-1H-indole-2,5-dicarboxamide is sourced from PubChem (CID 158115682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).