3-(4-benzoylpiperazin-1-yl)-1-(oxan-4-yl)piperidin-2-one

C21H29N3O3 — CID 75473640

IUPAC3-(4-benzoylpiperazin-1-yl)-1-(oxan-4-yl)piperidin-2-one
SMILESO=C(c1ccccc1)N1CCN(C2CCCN(C3CCOCC3)C2=O)CC1
InChIInChI=1S/C21H29N3O3/c25-20(17-5-2-1-3-6-17)23-13-11-22(12-14-23)19-7-4-10-24(21(19)26)18-8-15-27-16-9-18/h1-3,5-6,18-19H,4,7-16H2
InChIKeyUIGDOXICSQQDFD-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.61
Rot. Bonds3

About 3-(4-benzoylpiperazin-1-yl)-1-(oxan-4-yl)piperidin-2-one

3-(4-benzoylpiperazin-1-yl)-1-(oxan-4-yl)piperidin-2-one (PubChem CID 75473640) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-(4-benzoylpiperazin-1-yl)-1-(oxan-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-(4-benzoylpiperazin-1-yl)-1-(oxan-4-yl)piperidin-2-one
PubChem CID75473640
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name3-(4-benzoylpiperazin-1-yl)-1-(oxan-4-yl)piperidin-2-one
SMILESO=C(c1ccccc1)N1CCN(C2CCCN(C3CCOCC3)C2=O)CC1
InChIInChI=1S/C21H29N3O3/c25-20(17-5-2-1-3-6-17)23-13-11-22(12-14-23)19-7-4-10-24(21(19)26)18-8-15-27-16-9-18/h1-3,5-6,18-19H,4,7-16H2
InChIKeyUIGDOXICSQQDFD-UHFFFAOYSA-N
XLogP1.61
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one
CID 97342882
(3R)-1-(oxan-4-yl)-3-[4-(2-phenoxyacetyl)piperazin-1-yl]piperidin-2-one
CID 97342885
(3S)-3-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one
CID 97342876
N,N-diethyl-4-[(3S)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide
CID 97344660
(3S,9R)-11-benzoyl-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-2,8-dione
CID 56856747
1-(oxan-4-yl)-3-(4-pentylpiperazin-1-yl)piperidin-2-one
CID 75474280
3-[[4-[(3R)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]methyl]benzonitrile
CID 97344069
1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one
CID 134793694
[4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66840390
5-(4-benzoylpiperazin-1-yl)-2,2-dimethylcyclopentan-1-one
CID 167867623
(4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 51565669
(2R)-2-(4-benzoylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 59992050

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzoylpiperazin-1-yl)-1-(oxan-4-yl)piperidin-2-one?
The IUPAC name of 3-(4-benzoylpiperazin-1-yl)-1-(oxan-4-yl)piperidin-2-one (CID 75473640) is 3-(4-benzoylpiperazin-1-yl)-1-(oxan-4-yl)piperidin-2-one.
What is the SMILES notation for 3-(4-benzoylpiperazin-1-yl)-1-(oxan-4-yl)piperidin-2-one?
The canonical SMILES for 3-(4-benzoylpiperazin-1-yl)-1-(oxan-4-yl)piperidin-2-one is O=C(c1ccccc1)N1CCN(C2CCCN(C3CCOCC3)C2=O)CC1.
What is the InChIKey of 3-(4-benzoylpiperazin-1-yl)-1-(oxan-4-yl)piperidin-2-one?
The InChIKey is UIGDOXICSQQDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c25-20(17-5-2-1-3-6-17)23-13-11-22(12-14-23)19-7-4-10-24(21(19)26)18-8-15-27-16-9-18/h1-3,5-6,18-19H,4,7-16H2.
What are the key properties of 3-(4-benzoylpiperazin-1-yl)-1-(oxan-4-yl)piperidin-2-one?
3-(4-benzoylpiperazin-1-yl)-1-(oxan-4-yl)piperidin-2-one has a molecular weight of 371.48 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzoylpiperazin-1-yl)-1-(oxan-4-yl)piperidin-2-one is sourced from PubChem (CID 75473640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).