(4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone

C18H22N4O2 — CID 136566028

IUPAC(4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone
SMILESO=C(c1ccnc(-n2ccnc2)c1)N1CCC(O)(C2CCC2)CC1
InChIInChI=1S/C18H22N4O2/c23-17(14-4-7-20-16(12-14)22-11-8-19-13-22)21-9-5-18(24,6-10-21)15-2-1-3-15/h4,7-8,11-13,15,24H,1-3,5-6,9-10H2
InChIKeyOCFRUZPCAUZWPX-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.03
Rot. Bonds3

About (4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone

(4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone (PubChem CID 136566028) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone
PubChem CID136566028
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone
SMILESO=C(c1ccnc(-n2ccnc2)c1)N1CCC(O)(C2CCC2)CC1
InChIInChI=1S/C18H22N4O2/c23-17(14-4-7-20-16(12-14)22-11-8-19-13-22)21-9-5-18(24,6-10-21)15-2-1-3-15/h4,7-8,11-13,15,24H,1-3,5-6,9-10H2
InChIKeyOCFRUZPCAUZWPX-UHFFFAOYSA-N
XLogP2.03
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;dihydrochloride
CID 119469483
(2-imidazol-1-yl-4-pyridinyl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95281721
[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 95580405
3,4-dihydro-1H-isoquinolin-2-yl-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 51085833
(2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94616496
(2-imidazol-1-yl-4-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 51092101
N-cyclobutyl-N-(cyclopropylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 166222406
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 95613153
(2-imidazol-1-yl-4-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 51085847
(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 84592390
furan-3-yl-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122338270
N-[1-(hydroxymethyl)cyclooctyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 166481441

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone?
The IUPAC name of (4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone (CID 136566028) is (4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone.
What is the SMILES notation for (4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone?
The canonical SMILES for (4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone is O=C(c1ccnc(-n2ccnc2)c1)N1CCC(O)(C2CCC2)CC1.
What is the InChIKey of (4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone?
The InChIKey is OCFRUZPCAUZWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-17(14-4-7-20-16(12-14)22-11-8-19-13-22)21-9-5-18(24,6-10-21)15-2-1-3-15/h4,7-8,11-13,15,24H,1-3,5-6,9-10H2.
What are the key properties of (4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone?
(4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone has a molecular weight of 326.40 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone is sourced from PubChem (CID 136566028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).