(3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone

C20H25ClN4O — CID 72877246

IUPAC(3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCn1ccnc1C1CCCN(C(=O)c2ccc(N3CCCC3)c(Cl)c2)C1
InChIInChI=1S/C20H25ClN4O/c1-23-12-8-22-19(23)16-5-4-11-25(14-16)20(26)15-6-7-18(17(21)13-15)24-9-2-3-10-24/h6-8,12-13,16H,2-5,9-11,14H2,1H3
InChIKeyVVSKJZYODHZJPI-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.69
Rot. Bonds3

About (3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone

(3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 72877246) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is (3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID72877246
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name(3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCn1ccnc1C1CCCN(C(=O)c2ccc(N3CCCC3)c(Cl)c2)C1
InChIInChI=1S/C20H25ClN4O/c1-23-12-8-22-19(23)16-5-4-11-25(14-16)20(26)15-6-7-18(17(21)13-15)24-9-2-3-10-24/h6-8,12-13,16H,2-5,9-11,14H2,1H3
InChIKeyVVSKJZYODHZJPI-UHFFFAOYSA-N
XLogP3.69
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4-methoxyphenyl)-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 96579758
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 96577616
(2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72840658
(2-methyl-1-benzofuran-5-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72864618
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone
CID 96579127
(3-chloro-4-methylphenyl)-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 96577665
N-methyl-N-[4-[(3R)-3-(1-methylimidazol-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 96577296
(3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-hydroxycyclopropyl)piperidin-1-yl]methanone
CID 138382466
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 72867437
[6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 139012669
(6-chloro-2H-chromen-3-yl)-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 96577008
2-(4-chlorophenyl)sulfanyl-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70756196

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone (CID 72877246) is (3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone is Cn1ccnc1C1CCCN(C(=O)c2ccc(N3CCCC3)c(Cl)c2)C1.
What is the InChIKey of (3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is VVSKJZYODHZJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-23-12-8-22-19(23)16-5-4-11-25(14-16)20(26)15-6-7-18(17(21)13-15)24-9-2-3-10-24/h6-8,12-13,16H,2-5,9-11,14H2,1H3.
What are the key properties of (3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
(3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 372.90 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyrrolidin-1-ylphenyl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 72877246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).