4-(4-chlorophenyl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one

C20H26ClN3O — CID 86905684

IUPAC4-(4-chlorophenyl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one
SMILESCCc1nccn1C1CCCN(C(=O)CCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H26ClN3O/c1-2-19-22-12-14-24(19)18-6-4-13-23(15-18)20(25)7-3-5-16-8-10-17(21)11-9-16/h8-12,14,18H,2-7,13,15H2,1H3
InChIKeyDSKBTMRFPAMVJZ-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.29
Rot. Bonds6

About 4-(4-chlorophenyl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one

4-(4-chlorophenyl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one (PubChem CID 86905684) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one
PubChem CID86905684
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC Name4-(4-chlorophenyl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one
SMILESCCc1nccn1C1CCCN(C(=O)CCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H26ClN3O/c1-2-19-22-12-14-24(19)18-6-4-13-23(15-18)20(25)7-3-5-16-8-10-17(21)11-9-16/h8-12,14,18H,2-7,13,15H2,1H3
InChIKeyDSKBTMRFPAMVJZ-UHFFFAOYSA-N
XLogP4.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 95343440
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704387
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 95606548
2-(2,5-difluorophenoxy)-1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95341004
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95339825
(1-aminocyclopropyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 119881342
2-[2-[(3R)-1-[4-(4-chlorophenyl)butanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97276039
4-[3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyrazine-2,3-dione
CID 154748019
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylethanone
CID 95341954
1-[(3S)-3-aminopiperidin-1-yl]-4-(4-chlorophenyl)butan-1-one;hydrochloride
CID 154895459
2-(benzotriazol-1-yl)-1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95341017

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-(4-chlorophenyl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one (CID 86905684) is 4-(4-chlorophenyl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-(4-chlorophenyl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one is CCc1nccn1C1CCCN(C(=O)CCCc2ccc(Cl)cc2)C1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one?
The InChIKey is DSKBTMRFPAMVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O/c1-2-19-22-12-14-24(19)18-6-4-13-23(15-18)20(25)7-3-5-16-8-10-17(21)11-9-16/h8-12,14,18H,2-7,13,15H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one?
4-(4-chlorophenyl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one has a molecular weight of 359.90 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 86905684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).