N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-4-carboxamide

C27H30N4O — CID 91952334

IUPACN-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-4-carboxamide
SMILESCc1ccc2nccc(N3CCC(C(=O)NCCCn4ccc5ccccc54)CC3)c2c1
InChIInChI=1S/C27H30N4O/c1-20-7-8-24-23(19-20)26(9-14-28-24)31-17-11-22(12-18-31)27(32)29-13-4-15-30-16-10-21-5-2-3-6-25(21)30/h2-3,5-10,14,16,19,22H,4,11-13,15,17-18H2,1H3,(H,29,32)
InChIKeyYMQAGUPNHCEWPB-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.92
Rot. Bonds6

About N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-4-carboxamide

N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-4-carboxamide (PubChem CID 91952334) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-4-carboxamide
PubChem CID91952334
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC NameN-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-4-carboxamide
SMILESCc1ccc2nccc(N3CCC(C(=O)NCCCn4ccc5ccccc54)CC3)c2c1
InChIInChI=1S/C27H30N4O/c1-20-7-8-24-23(19-20)26(9-14-28-24)31-17-11-22(12-18-31)27(32)29-13-4-15-30-16-10-21-5-2-3-6-25(21)30/h2-3,5-10,14,16,19,22H,4,11-13,15,17-18H2,1H3,(H,29,32)
InChIKeyYMQAGUPNHCEWPB-UHFFFAOYSA-N
XLogP4.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide
CID 91952168
1-(6-fluoroquinolin-4-yl)-N-[3-(3-methylindazol-1-yl)propyl]piperidine-4-carboxamide
CID 91952366
N-[3-(2-ethylimidazol-1-yl)propyl]-1-(6-fluoroquinolin-4-yl)piperidine-4-carboxamide
CID 91952370
N-[3-(3-methylindazol-2-yl)propyl]-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide
CID 91952166
1-(6-methylquinolin-4-yl)piperidin-4-ol
CID 133467187
1-(6-chloroquinolin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356365
[1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133467900
1-(4-acetylphenyl)sulfonyl-N-(3-indol-1-ylpropyl)piperidine-4-carboxamide
CID 55349126
(4-ethylsulfonylpiperazin-1-yl)-[1-(6-methylquinolin-4-yl)piperidin-4-yl]methanone
CID 91952340
(3R)-N-(3-indol-1-ylpropyl)piperidine-3-carboxamide
CID 81133523
1-(6-fluoroquinolin-4-yl)-N-[3-(4-methylindazol-1-yl)propyl]piperidine-3-carboxamide
CID 91952225
4-(azepan-1-yl)-6-methylquinoline
CID 133466822

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-4-carboxamide (CID 91952334) is N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-4-carboxamide is Cc1ccc2nccc(N3CCC(C(=O)NCCCn4ccc5ccccc54)CC3)c2c1.
What is the InChIKey of N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-4-carboxamide?
The InChIKey is YMQAGUPNHCEWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c1-20-7-8-24-23(19-20)26(9-14-28-24)31-17-11-22(12-18-31)27(32)29-13-4-15-30-16-10-21-5-2-3-6-25(21)30/h2-3,5-10,14,16,19,22H,4,11-13,15,17-18H2,1H3,(H,29,32).
What are the key properties of N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-4-carboxamide?
N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-4-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 91952334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).