3-(4-chlorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one

C18H22ClN3O — CID 110104195

IUPAC3-(4-chlorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1cnc(C2CCCN(C(=O)CCc3ccc(Cl)cc3)C2)[nH]1
InChIInChI=1S/C18H22ClN3O/c1-13-11-20-18(21-13)15-3-2-10-22(12-15)17(23)9-6-14-4-7-16(19)8-5-14/h4-5,7-8,11,15H,2-3,6,9-10,12H2,1H3,(H,20,21)
InChIKeyVRZFSXCUIXLUDP-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.71
Rot. Bonds4

About 3-(4-chlorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one

3-(4-chlorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 110104195) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID110104195
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name3-(4-chlorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1cnc(C2CCCN(C(=O)CCc3ccc(Cl)cc3)C2)[nH]1
InChIInChI=1S/C18H22ClN3O/c1-13-11-20-18(21-13)15-3-2-10-22(12-15)17(23)9-6-14-4-7-16(19)8-5-14/h4-5,7-8,11,15H,2-3,6,9-10,12H2,1H3,(H,20,21)
InChIKeyVRZFSXCUIXLUDP-UHFFFAOYSA-N
XLogP3.71
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-chlorophenyl)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 118779777
3-(2-fluorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110104760
2-(2-fluorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 110103994
2-(azepan-1-yl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 124962539
1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 110104199
(2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124949617
2-(3-fluorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 110103996
2-(3-fluorophenyl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 124998243
3-(benzimidazol-1-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 132764398
3-(4-chlorophenyl)-1-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 110268799
[4-[(dimethylamino)methyl]phenyl]-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124955112
1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 110104109

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one (CID 110104195) is 3-(4-chlorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one is Cc1cnc(C2CCCN(C(=O)CCc3ccc(Cl)cc3)C2)[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is VRZFSXCUIXLUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-13-11-20-18(21-13)15-3-2-10-22(12-15)17(23)9-6-14-4-7-16(19)8-5-14/h4-5,7-8,11,15H,2-3,6,9-10,12H2,1H3,(H,20,21).
What are the key properties of 3-(4-chlorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one?
3-(4-chlorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 331.85 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110104195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).