tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxylate;4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-piperidin-4-ylphenyl)piperidine-1-carboxamide;4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]piperidine-1-carboxamide;4-[7-[3-(methanesulfonamido)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide

C145H179N25O21S — CID 157105363

About tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxylate;4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-piperidin-4-ylphenyl)piperidine-1-carboxamide;4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]piperidine-1-carboxamide;4-[7-[3-(methanesulfonamido)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide

tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxylate;4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-piperidin-4-ylphenyl)piperidine-1-carboxamide;4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]piperidine-1-carboxamide;4-[7-[3-(methanesulfonamido)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide (PubChem CID 157105363) has the molecular formula C145H179N25O21S and a molecular weight of 2640.25 g/mol. Its IUPAC name is tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxylate;4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-piperidin-4-ylphenyl)piperidine-1-carboxamide;4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]piperidine-1-carboxamide;4-[7-[3-(methanesulfonamido)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxylate;4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-piperidin-4-ylphenyl)piperidine-1-carboxamide;4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]piperidine-1-carboxamide;4-[7-[3-(methanesulfonamido)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
• PubChem CID: 157105363
• Molecular Formula: C145H179N25O21S
• Molecular Weight: 2640.25 g/mol
• Exact Mass: 2638.34
• IUPAC Name: tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxylate;4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-piperidin-4-ylphenyl)piperidine-1-carboxamide;4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]piperidine-1-carboxamide;4-[7-[3-(methanesulfonamido)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
• SMILES: CC(C)Oc1ccc(NC(=O)N2CCC(c3ncnc4cc(OCCCNS(C)(=O)=O)ccc34)CC2)cc1.COc1cc2ncnc(C3CCN(C(=O)Nc4ccc(C5=CCN(C(=O)OC(C)(C)C)CC5)cc4)CC3)c2cc1OC.COc1cc2ncnc(C3CCN(C(=O)Nc4ccc(C5=CCNCC5)cc4)CC3)c2cc1OC.COc1cc2ncnc(C3CCN(C(=O)Nc4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4)CC3)c2cc1OC.COc1cc2ncnc(C3CCN(C(=O)Nc4ccc(C5CCNCC5)cc4)CC3)c2cc1OC
• InChI: InChI=1S/C32H41N5O5.C32H39N5O5.C27H35N5O5S.C27H33N5O3.C27H31N5O3/c2*1-32(2,3)42-31(39)37-16-10-22(11-17-37)21-6-8-24(9-7-21)35-30(38)36-14-12-23(13-15-36)29-25-18-27(40-4)28(41-5)19-26(25)33-20-34-29;1-19(2)37-22-7-5-21(6-8-22)31-27(33)32-14-11-20(12-15-32)26-24-10-9-23(17-25(24)28-18-29-26)36-16-4-13-30-38(3,34)35;2*1-34-24-15-22-23(16-25(24)35-2)29-17-30-26(22)20-9-13-32(14-10-20)27(33)31-21-5-3-18(4-6-21)19-7-11-28-12-8-19/h6-9,18-20,22-23H,10-17H2,1-5H3,(H,35,38);6-10,18-20,23H,11-17H2,1-5H3,(H,35,38);5-10,17-20,30H,4,11-16H2,1-3H3,(H,31,33);3-6,15-17,19-20,28H,7-14H2,1-2H3,(H,31,33);3-7,15-17,20,28H,8-14H2,1-2H3,(H,31,33)
• InChIKey: AGFSYSVYXJZVCV-UHFFFAOYSA-N
• XLogP: 25.36
• TPSA: 512.21 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2640.25
LogP ≤ 5	25.36
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxylate;4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-piperidin-4-ylphenyl)piperidine-1-carboxamide;4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]piperidine-1-carboxamide;4-[7-[3-(methanesulfonamido)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide?

The IUPAC name of tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxylate;4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-piperidin-4-ylphenyl)piperidine-1-carboxamide;4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]piperidine-1-carboxamide;4-[7-[3-(methanesulfonamido)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide (CID 157105363) is tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxylate;4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-piperidin-4-ylphenyl)piperidine-1-carboxamide;4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]piperidine-1-carboxamide;4-[7-[3-(methanesulfonamido)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide.

What is the SMILES notation for tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxylate;4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-piperidin-4-ylphenyl)piperidine-1-carboxamide;4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]piperidine-1-carboxamide;4-[7-[3-(methanesulfonamido)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide?

The canonical SMILES for tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxylate;4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-piperidin-4-ylphenyl)piperidine-1-carboxamide;4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]piperidine-1-carboxamide;4-[7-[3-(methanesulfonamido)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide is CC(C)Oc1ccc(NC(=O)N2CCC(c3ncnc4cc(OCCCNS(C)(=O)=O)ccc34)CC2)cc1.COc1cc2ncnc(C3CCN(C(=O)Nc4ccc(C5=CCN(C(=O)OC(C)(C)C)CC5)cc4)CC3)c2cc1OC.COc1cc2ncnc(C3CCN(C(=O)Nc4ccc(C5=CCNCC5)cc4)CC3)c2cc1OC.COc1cc2ncnc(C3CCN(C(=O)Nc4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4)CC3)c2cc1OC.COc1cc2ncnc(C3CCN(C(=O)Nc4ccc(C5CCNCC5)cc4)CC3)c2cc1OC.

What is the InChIKey of tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxylate;4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-piperidin-4-ylphenyl)piperidine-1-carboxamide;4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]piperidine-1-carboxamide;4-[7-[3-(methanesulfonamido)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide?

The InChIKey is AGFSYSVYXJZVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N5O5.C32H39N5O5.C27H35N5O5S.C27H33N5O3.C27H31N5O3/c2*1-32(2,3)42-31(39)37-16-10-22(11-17-37)21-6-8-24(9-7-21)35-30(38)36-14-12-23(13-15-36)29-25-18-27(40-4)28(41-5)19-26(25)33-20-34-29;1-19(2)37-22-7-5-21(6-8-22)31-27(33)32-14-11-20(12-15-32)26-24-10-9-23(17-25(24)28-18-29-26)36-16-4-13-30-38(3,34)35;2*1-34-24-15-22-23(16-25(24)35-2)29-17-30-26(22)20-9-13-32(14-10-20)27(33)31-21-5-3-18(4-6-21)19-7-11-28-12-8-19/h6-9,18-20,22-23H,10-17H2,1-5H3,(H,35,38);6-10,18-20,23H,11-17H2,1-5H3,(H,35,38);5-10,17-20,30H,4,11-16H2,1-3H3,(H,31,33);3-6,15-17,19-20,28H,7-14H2,1-2H3,(H,31,33);3-7,15-17,20,28H,8-14H2,1-2H3,(H,31,33).

What are the key properties of tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxylate;4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-piperidin-4-ylphenyl)piperidine-1-carboxamide;4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]piperidine-1-carboxamide;4-[7-[3-(methanesulfonamido)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide?

tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxylate;4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-piperidin-4-ylphenyl)piperidine-1-carboxamide;4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]piperidine-1-carboxamide;4-[7-[3-(methanesulfonamido)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide has a molecular weight of 2640.25 g/mol, XLogP of 25.36, 30 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[4-[[4-(6,7-dimethoxyquinazolin-4-yl)piperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxylate;4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-piperidin-4-ylphenyl)piperidine-1-carboxamide;4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]piperidine-1-carboxamide;4-[7-[3-(methanesulfonamido)propoxy]quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 157105363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).