2-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone

C24H29N3O2 — CID 46294968

IUPAC2-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CC1CCN(C(=O)c2ccccc2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H29N3O2/c28-23(26-17-15-25(16-18-26)22-9-5-2-6-10-22)19-20-11-13-27(14-12-20)24(29)21-7-3-1-4-8-21/h1-10,20H,11-19H2
InChIKeyCUYZWMIRSOZRAX-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.28
Rot. Bonds4

About 2-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone

2-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 46294968) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is 2-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID46294968
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name2-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CC1CCN(C(=O)c2ccccc2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H29N3O2/c28-23(26-17-15-25(16-18-26)22-9-5-2-6-10-22)19-20-11-13-27(14-12-20)24(29)21-7-3-1-4-8-21/h1-10,20H,11-19H2
InChIKeyCUYZWMIRSOZRAX-UHFFFAOYSA-N
XLogP3.28
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
1-(4-benzoylpiperazin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119683440
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 92633834
ethyl 3,5-dimethyl-4-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrrole-2-carboxylate
CID 20934071
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolidine-3,5-dione
CID 110703260
[4-(cyclopentylmethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 90728867
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477
1-(azepan-1-yl)-2-[1-(4-methylbenzoyl)piperidin-4-yl]ethanone
CID 46295023
2-[1-(3-aminobenzoyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 119735039

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone (CID 46294968) is 2-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone is O=C(CC1CCN(C(=O)c2ccccc2)CC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is CUYZWMIRSOZRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-23(26-17-15-25(16-18-26)22-9-5-2-6-10-22)19-20-11-13-27(14-12-20)24(29)21-7-3-1-4-8-21/h1-10,20H,11-19H2.
What are the key properties of 2-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone?
2-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 391.51 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 46294968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).