cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C20H26N4O — CID 97127492

IUPACcyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC[C@H](c2nccn2Cc2ccncc2)C1
InChIInChI=1S/C20H26N4O/c25-20(17-4-1-2-5-17)24-12-3-6-18(15-24)19-22-11-13-23(19)14-16-7-9-21-10-8-16/h7-11,13,17-18H,1-6,12,14-15H2/t18-/m0/s1
InChIKeyMVWWNTMBOHUHDY-SFHVURJKSA-N
MW338.45 g/mol
LogP3.22
Rot. Bonds4

About cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 97127492) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID97127492
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Namecyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC[C@H](c2nccn2Cc2ccncc2)C1
InChIInChI=1S/C20H26N4O/c25-20(17-4-1-2-5-17)24-12-3-6-18(15-24)19-22-11-13-23(19)14-16-7-9-21-10-8-16/h7-11,13,17-18H,1-6,12,14-15H2/t18-/m0/s1
InChIKeyMVWWNTMBOHUHDY-SFHVURJKSA-N
XLogP3.22
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97282759
(3-fluoro-4-pyridinyl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72927120
[4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97280653
[2-oxo-2-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]urea
CID 97147491
[2-oxo-2-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]urea
CID 97147492
(3R)-N-butyl-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97275108
[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 72869064
[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 97121178
2-(4-methylpyrazol-1-yl)-1-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97278762
(3R)-N-(3,4-dimethylphenyl)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97268216
(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97281406
4-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 72921169

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 97127492) is cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is O=C(C1CCCC1)N1CCC[C@H](c2nccn2Cc2ccncc2)C1.
What is the InChIKey of cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is MVWWNTMBOHUHDY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O/c25-20(17-4-1-2-5-17)24-12-3-6-18(15-24)19-22-11-13-23(19)14-16-7-9-21-10-8-16/h7-11,13,17-18H,1-6,12,14-15H2/t18-/m0/s1.
What are the key properties of cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97127492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).