(4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone

C18H22ClN3O — CID 90492756

IUPAC(4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCCc1nccn1CC1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H22ClN3O/c1-2-17-20-9-12-22(17)13-14-7-10-21(11-8-14)18(23)15-3-5-16(19)6-4-15/h3-6,9,12,14H,2,7-8,10-11,13H2,1H3
InChIKeyKFVGESYUSSGDOR-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.65
Rot. Bonds4

About (4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone

(4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 90492756) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID90492756
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name(4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCCc1nccn1CC1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H22ClN3O/c1-2-17-20-9-12-22(17)13-14-7-10-21(11-8-14)18(23)15-3-5-16(19)6-4-15/h3-6,9,12,14H,2,7-8,10-11,13H2,1H3
InChIKeyKFVGESYUSSGDOR-UHFFFAOYSA-N
XLogP3.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(dimethylamino)phenyl]-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493255
2-(4-chlorophenyl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492788
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone
CID 90492768
N-(4-chlorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494071
4-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 90493306
(2-bromophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492757
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 90493290
2-(2-chloro-6-fluorophenyl)-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90493335
1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-propylpentan-1-one
CID 90492731
2-cyclohexyl-1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90492733
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 90492782

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone (CID 90492756) is (4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone is CCc1nccn1CC1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is KFVGESYUSSGDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-2-17-20-9-12-22(17)13-14-7-10-21(11-8-14)18(23)15-3-5-16(19)6-4-15/h3-6,9,12,14H,2,7-8,10-11,13H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
(4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 331.85 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90492756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).