2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

C21H28N4O — CID 72915173

IUPAC2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(c2nccn2Cc2ccncc2)CC1
InChIInChI=1S/C21H28N4O/c26-20(15-17-3-1-2-4-17)24-12-7-19(8-13-24)21-23-11-14-25(21)16-18-5-9-22-10-6-18/h5-6,9-11,14,17,19H,1-4,7-8,12-13,15-16H2
InChIKeyAQROHPMNOKSQFW-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.61
Rot. Bonds5

About 2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 72915173) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
PubChem CID72915173
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCC(c2nccn2Cc2ccncc2)CC1
InChIInChI=1S/C21H28N4O/c26-20(15-17-3-1-2-4-17)24-12-7-19(8-13-24)21-23-11-14-25(21)16-18-5-9-22-10-6-18/h5-6,9-11,14,17,19H,1-4,7-8,12-13,15-16H2
InChIKeyAQROHPMNOKSQFW-UHFFFAOYSA-N
XLogP3.61
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 72900440
3-cyclopentyl-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97282759
3-(4-hydroxyphenyl)-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 72867933
[(1S,3R)-3-aminocyclopentyl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72876467
(2-methyloxolan-2-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72855788
2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 22585642
cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97127492
[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone;dihydrochloride
CID 154899926
(3,4-dimethylphenyl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72892381
(2R)-2-(methylamino)-2-phenyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97276167
4-(1H-pyrazol-4-yl)-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-1-one
CID 72938712
[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 72842076

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (CID 72915173) is 2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is O=C(CC1CCCC1)N1CCC(c2nccn2Cc2ccncc2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is AQROHPMNOKSQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c26-20(15-17-3-1-2-4-17)24-12-7-19(8-13-24)21-23-11-14-25(21)16-18-5-9-22-10-6-18/h5-6,9-11,14,17,19H,1-4,7-8,12-13,15-16H2.
What are the key properties of 2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 352.48 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 72915173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).