tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidine-1-carboxylate;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid

C91H108N12O14S3 — CID 161307733

About tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidine-1-carboxylate;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid

tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidine-1-carboxylate;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid (PubChem CID 161307733) has the molecular formula C91H108N12O14S3 and a molecular weight of 1690.14 g/mol. Its IUPAC name is tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidine-1-carboxylate;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid.

Molecular Properties

• Compound Name: tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidine-1-carboxylate;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid
• PubChem CID: 161307733
• Molecular Formula: C91H108N12O14S3
• Molecular Weight: 1690.14 g/mol
• Exact Mass: 1688.73
• IUPAC Name: tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidine-1-carboxylate;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N1CCC(N)CC1.CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)c(C)c3[nH]c4ncc(C)cc4c23)c1.CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCNCC3)c(C)c3[nH]c4ncc(C)cc4c23)c1.CCS(=O)(=O)c1cccc(-c2cc(C(=O)O)c(C)c3[nH]c4ncc(C)cc4c23)c1
• InChI: InChI=1S/C32H38N4O5S.C27H30N4O3S.C22H20N2O4S.C10H20N2O2/c1-7-42(39,40)23-10-8-9-21(16-23)25-17-24(20(3)28-27(25)26-15-19(2)18-33-29(26)35-28)30(37)34-22-11-13-36(14-12-22)31(38)41-32(4,5)6;1-4-35(33,34)20-7-5-6-18(13-20)22-14-21(27(32)30-19-8-10-28-11-9-19)17(3)25-24(22)23-12-16(2)15-29-26(23)31-25;1-4-29(27,28)15-7-5-6-14(9-15)17-10-16(22(25)26)13(3)20-19(17)18-8-12(2)11-23-21(18)24-20;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8-10,15-18,22H,7,11-14H2,1-6H3,(H,33,35)(H,34,37);5-7,12-15,19,28H,4,8-11H2,1-3H3,(H,29,31)(H,30,32);5-11H,4H2,1-3H3,(H,23,24)(H,25,26);8H,4-7,11H2,1-3H3
• InChIKey: VIMBKZUVPHEYCX-UHFFFAOYSA-N
• XLogP: 16.03
• TPSA: 381.09 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1690.14
LogP ≤ 5	16.03
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidine-1-carboxylate;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid?

The IUPAC name of tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidine-1-carboxylate;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid (CID 161307733) is tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidine-1-carboxylate;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid.

What is the SMILES notation for tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidine-1-carboxylate;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid?

The canonical SMILES for tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidine-1-carboxylate;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid is CC(C)(C)OC(=O)N1CCC(N)CC1.CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCN(C(=O)OC(C)(C)C)CC3)c(C)c3[nH]c4ncc(C)cc4c23)c1.CCS(=O)(=O)c1cccc(-c2cc(C(=O)NC3CCNCC3)c(C)c3[nH]c4ncc(C)cc4c23)c1.CCS(=O)(=O)c1cccc(-c2cc(C(=O)O)c(C)c3[nH]c4ncc(C)cc4c23)c1.

What is the InChIKey of tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidine-1-carboxylate;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid?

The InChIKey is VIMBKZUVPHEYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O5S.C27H30N4O3S.C22H20N2O4S.C10H20N2O2/c1-7-42(39,40)23-10-8-9-21(16-23)25-17-24(20(3)28-27(25)26-15-19(2)18-33-29(26)35-28)30(37)34-22-11-13-36(14-12-22)31(38)41-32(4,5)6;1-4-35(33,34)20-7-5-6-18(13-20)22-14-21(27(32)30-19-8-10-28-11-9-19)17(3)25-24(22)23-12-16(2)15-29-26(23)31-25;1-4-29(27,28)15-7-5-6-14(9-15)17-10-16(22(25)26)13(3)20-19(17)18-8-12(2)11-23-21(18)24-20;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8-10,15-18,22H,7,11-14H2,1-6H3,(H,33,35)(H,34,37);5-7,12-15,19,28H,4,8-11H2,1-3H3,(H,29,31)(H,30,32);5-11H,4H2,1-3H3,(H,23,24)(H,25,26);8H,4-7,11H2,1-3H3.

What are the key properties of tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidine-1-carboxylate;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid?

tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidine-1-carboxylate;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid has a molecular weight of 1690.14 g/mol, XLogP of 16.03, 14 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carbonyl]amino]piperidine-1-carboxylate;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-N-piperidin-4-yl-9H-pyrido[2,3-b]indole-7-carboxamide;5-(3-ethylsulfonylphenyl)-3,8-dimethyl-9H-pyrido[2,3-b]indole-7-carboxylic acid is sourced from PubChem (CID 161307733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).