1-[4-[2-[2-(2-chlorobenzoyl)imidazol-1-yl]ethyl]piperidin-1-yl]-3-phenylpropan-1-one

C26H28ClN3O2 — CID 18928699

IUPAC1-[4-[2-[2-(2-chlorobenzoyl)imidazol-1-yl]ethyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(c1ccccc1Cl)c1nccn1CCC1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C26H28ClN3O2/c27-23-9-5-4-8-22(23)25(32)26-28-15-19-30(26)18-14-21-12-16-29(17-13-21)24(31)11-10-20-6-2-1-3-7-20/h1-9,15,19,21H,10-14,16-18H2
InChIKeyWZVIWTSGQJIEND-UHFFFAOYSA-N
MW449.98 g/mol
LogP5.03
Rot. Bonds8

About 1-[4-[2-[2-(2-chlorobenzoyl)imidazol-1-yl]ethyl]piperidin-1-yl]-3-phenylpropan-1-one

1-[4-[2-[2-(2-chlorobenzoyl)imidazol-1-yl]ethyl]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 18928699) has the molecular formula C26H28ClN3O2 and a molecular weight of 449.98 g/mol. Its IUPAC name is 1-[4-[2-[2-(2-chlorobenzoyl)imidazol-1-yl]ethyl]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[2-[2-(2-chlorobenzoyl)imidazol-1-yl]ethyl]piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID18928699
Molecular FormulaC26H28ClN3O2
Molecular Weight449.98 g/mol
Exact Mass449.19
IUPAC Name1-[4-[2-[2-(2-chlorobenzoyl)imidazol-1-yl]ethyl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(c1ccccc1Cl)c1nccn1CCC1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C26H28ClN3O2/c27-23-9-5-4-8-22(23)25(32)26-28-15-19-30(26)18-14-21-12-16-29(17-13-21)24(31)11-10-20-6-2-1-3-7-20/h1-9,15,19,21H,10-14,16-18H2
InChIKeyWZVIWTSGQJIEND-UHFFFAOYSA-N
XLogP5.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.98
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-1-[4-[2-(triazol-2-yl)ethyl]piperidin-1-yl]propan-1-one
CID 67619627
1-[4-[2-(benzimidazol-1-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 18928760
1-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-phenylpropan-1-one;1-[4-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 67753486
3-(4-methoxyphenyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90493537
3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
CID 55916326
1-[4-[2-(5-methyl-1H-imidazol-2-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 67753529
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70735998
3-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-4-yl]-1-(2-phenylethyl)azepan-2-one
CID 110261900
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 114801409
3-[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 96579021

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-(2-chlorobenzoyl)imidazol-1-yl]ethyl]piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-[2-[2-(2-chlorobenzoyl)imidazol-1-yl]ethyl]piperidin-1-yl]-3-phenylpropan-1-one (CID 18928699) is 1-[4-[2-[2-(2-chlorobenzoyl)imidazol-1-yl]ethyl]piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[2-[2-(2-chlorobenzoyl)imidazol-1-yl]ethyl]piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-[2-[2-(2-chlorobenzoyl)imidazol-1-yl]ethyl]piperidin-1-yl]-3-phenylpropan-1-one is O=C(c1ccccc1Cl)c1nccn1CCC1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 1-[4-[2-[2-(2-chlorobenzoyl)imidazol-1-yl]ethyl]piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is WZVIWTSGQJIEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O2/c27-23-9-5-4-8-22(23)25(32)26-28-15-19-30(26)18-14-21-12-16-29(17-13-21)24(31)11-10-20-6-2-1-3-7-20/h1-9,15,19,21H,10-14,16-18H2.
What are the key properties of 1-[4-[2-[2-(2-chlorobenzoyl)imidazol-1-yl]ethyl]piperidin-1-yl]-3-phenylpropan-1-one?
1-[4-[2-[2-(2-chlorobenzoyl)imidazol-1-yl]ethyl]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 449.98 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2-(2-chlorobenzoyl)imidazol-1-yl]ethyl]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 18928699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).