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

C27H30N4O — CID 91952168

IUPACN-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide
SMILESCc1ccc2nccc(N3CCCC(C(=O)NCCCn4ccc5ccccc54)C3)c2c1
InChIInChI=1S/C27H30N4O/c1-20-9-10-24-23(18-20)26(11-14-28-24)31-15-4-7-22(19-31)27(32)29-13-5-16-30-17-12-21-6-2-3-8-25(21)30/h2-3,6,8-12,14,17-18,22H,4-5,7,13,15-16,19H2,1H3,(H,29,32)
InChIKeyRJNUOVOTESWIHC-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.92
Rot. Bonds6

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

N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide (PubChem CID 91952168) 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-3-carboxamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide
PubChem CID91952168
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC NameN-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide
SMILESCc1ccc2nccc(N3CCCC(C(=O)NCCCn4ccc5ccccc54)C3)c2c1
InChIInChI=1S/C27H30N4O/c1-20-9-10-24-23(18-20)26(11-14-28-24)31-15-4-7-22(19-31)27(32)29-13-5-16-30-17-12-21-6-2-3-8-25(21)30/h2-3,6,8-12,14,17-18,22H,4-5,7,13,15-16,19H2,1H3,(H,29,32)
InChIKeyRJNUOVOTESWIHC-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-4-carboxamide
CID 91952334
N-[3-(3-methylindazol-2-yl)propyl]-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide
CID 91952166
1-(6-fluoroquinolin-4-yl)-N-[3-(4-methylindazol-1-yl)propyl]piperidine-3-carboxamide
CID 91952225
1-(6-methylquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 91952178
N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide
CID 133278233
(3R)-N-(3-indol-1-ylpropyl)piperidine-3-carboxamide
CID 81133523
N-[2-(6-bromoindol-1-yl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 71708712
1-(6-fluoroquinolin-4-yl)-N-[3-(3-methylindazol-1-yl)propyl]piperidine-4-carboxamide
CID 91952366
N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46959580
(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92876841
N-[3-(azepan-1-yl)propyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 46328210
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
CID 46359288

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide (CID 91952168) is N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide is Cc1ccc2nccc(N3CCCC(C(=O)NCCCn4ccc5ccccc54)C3)c2c1.
What is the InChIKey of N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide?
The InChIKey is RJNUOVOTESWIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c1-20-9-10-24-23(18-20)26(11-14-28-24)31-15-4-7-22(19-31)27(32)29-13-5-16-30-17-12-21-6-2-3-8-25(21)30/h2-3,6,8-12,14,17-18,22H,4-5,7,13,15-16,19H2,1H3,(H,29,32).
What are the key properties of N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide?
N-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-3-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-3-carboxamide is sourced from PubChem (CID 91952168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).