7-chloro-1-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide

C37H48ClN5O4 — CID 10211790

IUPAC7-chloro-1-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide
SMILESCn1c(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc2cccc(Cl)c21
InChIInChI=1S/C37H48ClN5O4/c1-42-32(23-29-10-7-11-30(38)33(29)42)35(45)41-37(16-5-6-17-37)36(46)40-31(22-26-8-3-2-4-9-26)34(44)39-24-27-12-18-43(19-13-27)25-28-14-20-47-21-15-28/h2-4,7-11,23,27-28,31H,5-6,12-22,24-25H2,1H3,(H,39,44)(H,40,46)(H,41,45)/t31-/m1/s1
InChIKeyCMDNVROPJBWBPM-WJOKGBTCSA-N
MW662.28 g/mol
LogP4.86
Rot. Bonds11

About 7-chloro-1-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide

7-chloro-1-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide (PubChem CID 10211790) has the molecular formula C37H48ClN5O4 and a molecular weight of 662.28 g/mol. Its IUPAC name is 7-chloro-1-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-1-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide
PubChem CID10211790
Molecular FormulaC37H48ClN5O4
Molecular Weight662.28 g/mol
Exact Mass661.34
IUPAC Name7-chloro-1-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide
SMILESCn1c(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc2cccc(Cl)c21
InChIInChI=1S/C37H48ClN5O4/c1-42-32(23-29-10-7-11-30(38)33(29)42)35(45)41-37(16-5-6-17-37)36(46)40-31(22-26-8-3-2-4-9-26)34(44)39-24-27-12-18-43(19-13-27)25-28-14-20-47-21-15-28/h2-4,7-11,23,27-28,31H,5-6,12-22,24-25H2,1H3,(H,39,44)(H,40,46)(H,41,45)/t31-/m1/s1
InChIKeyCMDNVROPJBWBPM-WJOKGBTCSA-N
XLogP4.86
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500662.28
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-chloro-1-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide with MolForge

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Related Compounds

1-(2-((4-Chlorophenyl)amino)-2-oxoethyl)-N-(1-isopropylpiperidin-4-YL)-1H-indole-2-carboxamide
CID 6540268
1-[2-(4-chlorophenyl)ethyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801009
1-[(3-chlorophenyl)methyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801045
1-{[(3-chlorophenyl)carbamoyl]methyl}-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 23647200
5-chloro-N-(4-(4-(2,4-dichlorophenyl)piperazin-1-yl)butyl)-1H-indole-2-carboxamide
CID 10367857
1-(4-methoxybutyl)-N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]indole-2-carboxamide
CID 58355366
N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butyl]-1H-indole-2-carboxamide
CID 130431337
1-(3-chlorophenyl)-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801048
1-[(4-chlorophenyl)methyl]-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801076
1-(4-chlorophenyl)-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801082
1-(5-Chloro-1-methylindole-2-carbonyl)piperidine-4-carboxamide
CID 4619062
ethyl 1-(5-chloro-1H-indole-2-carbonyl)piperidine-4-carboxylate
CID 4894334

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide?
The IUPAC name of 7-chloro-1-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide (CID 10211790) is 7-chloro-1-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide.
What is the SMILES notation for 7-chloro-1-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide?
The canonical SMILES for 7-chloro-1-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide is Cn1c(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)cc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-1-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide?
The InChIKey is CMDNVROPJBWBPM-WJOKGBTCSA-N. The full InChI is InChI=1S/C37H48ClN5O4/c1-42-32(23-29-10-7-11-30(38)33(29)42)35(45)41-37(16-5-6-17-37)36(46)40-31(22-26-8-3-2-4-9-26)34(44)39-24-27-12-18-43(19-13-27)25-28-14-20-47-21-15-28/h2-4,7-11,23,27-28,31H,5-6,12-22,24-25H2,1H3,(H,39,44)(H,40,46)(H,41,45)/t31-/m1/s1.
What are the key properties of 7-chloro-1-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide?
7-chloro-1-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide has a molecular weight of 662.28 g/mol, XLogP of 4.86, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]indole-2-carboxamide is sourced from PubChem (CID 10211790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).