8-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoxaline-5-carbonitrile;2-(azetidin-3-yl)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide;tert-butyl 3-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-2-oxoethyl]azetidine-1-carboxylate;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid

C70H90N18O8 — CID 157159999

IUPAC8-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoxaline-5-carbonitrile;2-(azetidin-3-yl)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide;tert-butyl 3-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-2-oxoethyl]azetidine-1-carboxylate;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC(CC(=O)O)C1.C[C@H]1C[C@@H](N)CN(c2ccc(C#N)c3nccnc23)C1.C[C@H]1C[C@@H](NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)CN(c2ccc(C#N)c3nccnc23)C1.C[C@H]1C[C@@H](NC(=O)CC2CNC2)CN(c2ccc(C#N)c3nccnc23)C1
InChIInChI=1S/C25H32N6O3.C20H24N6O.C15H17N5.C10H17NO4/c1-16-9-19(29-21(32)10-17-13-31(14-17)24(33)34-25(2,3)4)15-30(12-16)20-6-5-18(11-26)22-23(20)28-8-7-27-22;1-13-6-16(25-18(27)7-14-9-22-10-14)12-26(11-13)17-3-2-15(8-21)19-20(17)24-5-4-23-19;1-10-6-12(17)9-20(8-10)13-3-2-11(7-16)14-15(13)19-5-4-18-14;1-10(2,3)15-9(14)11-5-7(6-11)4-8(12)13/h5-8,16-17,19H,9-10,12-15H2,1-4H3,(H,29,32);2-5,13-14,16,22H,6-7,9-12H2,1H3,(H,25,27);2-5,10,12H,6,8-9,17H2,1H3;7H,4-6H2,1-3H3,(H,12,13)/t16-,19+;13-,16+;10-,12+;/m000./s1
InChIKeyAMGKABHTMUAVEX-CNXYUSKZSA-N
MW1311.61 g/mol
LogP7.53
Rot. Bonds11

About 8-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoxaline-5-carbonitrile;2-(azetidin-3-yl)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide;tert-butyl 3-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-2-oxoethyl]azetidine-1-carboxylate;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid

8-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoxaline-5-carbonitrile;2-(azetidin-3-yl)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide;tert-butyl 3-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-2-oxoethyl]azetidine-1-carboxylate;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid (PubChem CID 157159999) has the molecular formula C70H90N18O8 and a molecular weight of 1311.61 g/mol. Its IUPAC name is 8-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoxaline-5-carbonitrile;2-(azetidin-3-yl)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide;tert-butyl 3-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-2-oxoethyl]azetidine-1-carboxylate;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name8-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoxaline-5-carbonitrile;2-(azetidin-3-yl)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide;tert-butyl 3-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-2-oxoethyl]azetidine-1-carboxylate;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
PubChem CID157159999
Molecular FormulaC70H90N18O8
Molecular Weight1311.61 g/mol
Exact Mass1310.72
IUPAC Name8-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoxaline-5-carbonitrile;2-(azetidin-3-yl)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide;tert-butyl 3-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-2-oxoethyl]azetidine-1-carboxylate;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC(CC(=O)O)C1.C[C@H]1C[C@@H](N)CN(c2ccc(C#N)c3nccnc23)C1.C[C@H]1C[C@@H](NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)CN(c2ccc(C#N)c3nccnc23)C1.C[C@H]1C[C@@H](NC(=O)CC2CNC2)CN(c2ccc(C#N)c3nccnc23)C1
InChIInChI=1S/C25H32N6O3.C20H24N6O.C15H17N5.C10H17NO4/c1-16-9-19(29-21(32)10-17-13-31(14-17)24(33)34-25(2,3)4)15-30(12-16)20-6-5-18(11-26)22-23(20)28-8-7-27-22;1-13-6-16(25-18(27)7-14-9-22-10-14)12-26(11-13)17-3-2-15(8-21)19-20(17)24-5-4-23-19;1-10-6-12(17)9-20(8-10)13-3-2-11(7-16)14-15(13)19-5-4-18-14;1-10(2,3)15-9(14)11-5-7(6-11)4-8(12)13/h5-8,16-17,19H,9-10,12-15H2,1-4H3,(H,29,32);2-5,13-14,16,22H,6-7,9-12H2,1H3,(H,25,27);2-5,10,12H,6,8-9,17H2,1H3;7H,4-6H2,1-3H3,(H,12,13)/t16-,19+;13-,16+;10-,12+;/m000./s1
InChIKeyAMGKABHTMUAVEX-CNXYUSKZSA-N
XLogP7.53
TPSA351.06 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001311.61
LogP ≤ 57.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 8-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoxaline-5-carbonitrile;2-(azetidin-3-yl)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide;tert-butyl 3-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-2-oxoethyl]azetidine-1-carboxylate;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoxaline-5-carbonitrile;2-(azetidin-3-yl)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide;tert-butyl 3-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-2-oxoethyl]azetidine-1-carboxylate;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
The IUPAC name of 8-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoxaline-5-carbonitrile;2-(azetidin-3-yl)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide;tert-butyl 3-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-2-oxoethyl]azetidine-1-carboxylate;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid (CID 157159999) is 8-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoxaline-5-carbonitrile;2-(azetidin-3-yl)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide;tert-butyl 3-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-2-oxoethyl]azetidine-1-carboxylate;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 8-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoxaline-5-carbonitrile;2-(azetidin-3-yl)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide;tert-butyl 3-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-2-oxoethyl]azetidine-1-carboxylate;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 8-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoxaline-5-carbonitrile;2-(azetidin-3-yl)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide;tert-butyl 3-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-2-oxoethyl]azetidine-1-carboxylate;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid is CC(C)(C)OC(=O)N1CC(CC(=O)O)C1.C[C@H]1C[C@@H](N)CN(c2ccc(C#N)c3nccnc23)C1.C[C@H]1C[C@@H](NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)CN(c2ccc(C#N)c3nccnc23)C1.C[C@H]1C[C@@H](NC(=O)CC2CNC2)CN(c2ccc(C#N)c3nccnc23)C1.
What is the InChIKey of 8-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoxaline-5-carbonitrile;2-(azetidin-3-yl)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide;tert-butyl 3-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-2-oxoethyl]azetidine-1-carboxylate;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
The InChIKey is AMGKABHTMUAVEX-CNXYUSKZSA-N. The full InChI is InChI=1S/C25H32N6O3.C20H24N6O.C15H17N5.C10H17NO4/c1-16-9-19(29-21(32)10-17-13-31(14-17)24(33)34-25(2,3)4)15-30(12-16)20-6-5-18(11-26)22-23(20)28-8-7-27-22;1-13-6-16(25-18(27)7-14-9-22-10-14)12-26(11-13)17-3-2-15(8-21)19-20(17)24-5-4-23-19;1-10-6-12(17)9-20(8-10)13-3-2-11(7-16)14-15(13)19-5-4-18-14;1-10(2,3)15-9(14)11-5-7(6-11)4-8(12)13/h5-8,16-17,19H,9-10,12-15H2,1-4H3,(H,29,32);2-5,13-14,16,22H,6-7,9-12H2,1H3,(H,25,27);2-5,10,12H,6,8-9,17H2,1H3;7H,4-6H2,1-3H3,(H,12,13)/t16-,19+;13-,16+;10-,12+;/m000./s1.
What are the key properties of 8-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoxaline-5-carbonitrile;2-(azetidin-3-yl)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide;tert-butyl 3-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-2-oxoethyl]azetidine-1-carboxylate;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
8-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoxaline-5-carbonitrile;2-(azetidin-3-yl)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide;tert-butyl 3-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-2-oxoethyl]azetidine-1-carboxylate;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid has a molecular weight of 1311.61 g/mol, XLogP of 7.53, 11 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]quinoxaline-5-carbonitrile;2-(azetidin-3-yl)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide;tert-butyl 3-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-2-oxoethyl]azetidine-1-carboxylate;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 157159999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).