N-[3-(3-methylindazol-2-yl)propyl]-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide

C27H31N5O — CID 91952166

IUPACN-[3-(3-methylindazol-2-yl)propyl]-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide
SMILESCc1ccc2nccc(N3CCCC(C(=O)NCCCn4nc5ccccc5c4C)C3)c2c1
InChIInChI=1S/C27H31N5O/c1-19-10-11-24-23(17-19)26(12-14-28-24)31-15-5-7-21(18-31)27(33)29-13-6-16-32-20(2)22-8-3-4-9-25(22)30-32/h3-4,8-12,14,17,21H,5-7,13,15-16,18H2,1-2H3,(H,29,33)
InChIKeyXIRYRYXYJXJSOV-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.62
Rot. Bonds6

About N-[3-(3-methylindazol-2-yl)propyl]-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide

N-[3-(3-methylindazol-2-yl)propyl]-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide (PubChem CID 91952166) has the molecular formula C27H31N5O and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[3-(3-methylindazol-2-yl)propyl]-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-methylindazol-2-yl)propyl]-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide
PubChem CID91952166
Molecular FormulaC27H31N5O
Molecular Weight441.58 g/mol
Exact Mass441.25
IUPAC NameN-[3-(3-methylindazol-2-yl)propyl]-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide
SMILESCc1ccc2nccc(N3CCCC(C(=O)NCCCn4nc5ccccc5c4C)C3)c2c1
InChIInChI=1S/C27H31N5O/c1-19-10-11-24-23(17-19)26(12-14-28-24)31-15-5-7-21(18-31)27(33)29-13-6-16-32-20(2)22-8-3-4-9-25(22)30-32/h3-4,8-12,14,17,21H,5-7,13,15-16,18H2,1-2H3,(H,29,33)
InChIKeyXIRYRYXYJXJSOV-UHFFFAOYSA-N
XLogP4.62
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(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-(3-indol-1-ylpropyl)-1-(6-methylquinolin-4-yl)piperidine-4-carboxamide
CID 91952334
N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide
CID 133278233
1-(6-fluoroquinolin-4-yl)-N-[3-(3-methylindazol-1-yl)propyl]piperidine-4-carboxamide
CID 91952366
N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 49431629
N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 110436254
(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92876841
N-(3-formamidopropyl)-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 110436261
4-(azepan-1-yl)-6-methylquinoline
CID 133466822
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-(3-methylindazol-2-yl)propyl]-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[3-(3-methylindazol-2-yl)propyl]-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide (CID 91952166) is N-[3-(3-methylindazol-2-yl)propyl]-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(3-methylindazol-2-yl)propyl]-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-(3-methylindazol-2-yl)propyl]-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide is Cc1ccc2nccc(N3CCCC(C(=O)NCCCn4nc5ccccc5c4C)C3)c2c1.
What is the InChIKey of N-[3-(3-methylindazol-2-yl)propyl]-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide?
The InChIKey is XIRYRYXYJXJSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O/c1-19-10-11-24-23(17-19)26(12-14-28-24)31-15-5-7-21(18-31)27(33)29-13-6-16-32-20(2)22-8-3-4-9-25(22)30-32/h3-4,8-12,14,17,21H,5-7,13,15-16,18H2,1-2H3,(H,29,33).
What are the key properties of N-[3-(3-methylindazol-2-yl)propyl]-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide?
N-[3-(3-methylindazol-2-yl)propyl]-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylindazol-2-yl)propyl]-1-(6-methylquinolin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 91952166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).