1-[(3S)-3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-2-quinolin-3-ylethanone

C24H24N4O — CID 99797712

IUPAC1-[(3S)-3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-2-quinolin-3-ylethanone
SMILESO=C(Cc1cnc2ccccc2c1)N1CCC[C@@H](Cn2cnc3ccccc32)C1
InChIInChI=1S/C24H24N4O/c29-24(13-19-12-20-7-1-2-8-21(20)25-14-19)27-11-5-6-18(15-27)16-28-17-26-22-9-3-4-10-23(22)28/h1-4,7-10,12,14,17-18H,5-6,11,13,15-16H2/t18-/m1/s1
InChIKeyFEROUSGXRBIAIT-GOSISDBHSA-N
MW384.48 g/mol
LogP4.07
Rot. Bonds4

About 1-[(3S)-3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-2-quinolin-3-ylethanone

1-[(3S)-3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-2-quinolin-3-ylethanone (PubChem CID 99797712) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[(3S)-3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-2-quinolin-3-ylethanone.

Molecular Properties

Compound Name1-[(3S)-3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-2-quinolin-3-ylethanone
PubChem CID99797712
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-[(3S)-3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-2-quinolin-3-ylethanone
SMILESO=C(Cc1cnc2ccccc2c1)N1CCC[C@@H](Cn2cnc3ccccc32)C1
InChIInChI=1S/C24H24N4O/c29-24(13-19-12-20-7-1-2-8-21(20)25-14-19)27-11-5-6-18(15-27)16-28-17-26-22-9-3-4-10-23(22)28/h1-4,7-10,12,14,17-18H,5-6,11,13,15-16H2/t18-/m1/s1
InChIKeyFEROUSGXRBIAIT-GOSISDBHSA-N
XLogP4.07
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide
CID 126827644
pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110111665
(2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124961648
2-(benzimidazol-1-yl)-1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 125008799
2-(benzimidazol-1-yl)-1-[(3S)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 99993760
6-[4-[3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-1-hydroxy-4-oxobutyl]-3,4-dihydro-1H-quinolin-2-one
CID 154863674
N-[3-[(3S)-3-(benzimidazol-1-ylmethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 99786282
pyridazin-3-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110090994
1-[3-(bromomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 80659130
4-(benzimidazol-1-ylmethyl)cyclohexane-1-carboxylic acid
CID 172582070
1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 61297397
2-(benzimidazol-1-yl)-1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122267933

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-2-quinolin-3-ylethanone?
The IUPAC name of 1-[(3S)-3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-2-quinolin-3-ylethanone (CID 99797712) is 1-[(3S)-3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-2-quinolin-3-ylethanone.
What is the SMILES notation for 1-[(3S)-3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-2-quinolin-3-ylethanone?
The canonical SMILES for 1-[(3S)-3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-2-quinolin-3-ylethanone is O=C(Cc1cnc2ccccc2c1)N1CCC[C@@H](Cn2cnc3ccccc32)C1.
What is the InChIKey of 1-[(3S)-3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-2-quinolin-3-ylethanone?
The InChIKey is FEROUSGXRBIAIT-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24N4O/c29-24(13-19-12-20-7-1-2-8-21(20)25-14-19)27-11-5-6-18(15-27)16-28-17-26-22-9-3-4-10-23(22)28/h1-4,7-10,12,14,17-18H,5-6,11,13,15-16H2/t18-/m1/s1.
What are the key properties of 1-[(3S)-3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-2-quinolin-3-ylethanone?
1-[(3S)-3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-2-quinolin-3-ylethanone has a molecular weight of 384.48 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(benzimidazol-1-ylmethyl)piperidin-1-yl]-2-quinolin-3-ylethanone is sourced from PubChem (CID 99797712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).