1-[2-oxo-1-phenyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one

C23H26N4O3 — CID 56577826

IUPAC1-[2-oxo-1-phenyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one
SMILESO=C(c1cccnc1)N1CCN(C(=O)C(c2ccccc2)N2CCCCC2=O)CC1
InChIInChI=1S/C23H26N4O3/c28-20-10-4-5-12-27(20)21(18-7-2-1-3-8-18)23(30)26-15-13-25(14-16-26)22(29)19-9-6-11-24-17-19/h1-3,6-9,11,17,21H,4-5,10,12-16H2
InChIKeyFOIBUSWSNJPFJO-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.12
Rot. Bonds4

About 1-[2-oxo-1-phenyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one

1-[2-oxo-1-phenyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one (PubChem CID 56577826) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[2-oxo-1-phenyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-oxo-1-phenyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one
PubChem CID56577826
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-[2-oxo-1-phenyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one
SMILESO=C(c1cccnc1)N1CCN(C(=O)C(c2ccccc2)N2CCCCC2=O)CC1
InChIInChI=1S/C23H26N4O3/c28-20-10-4-5-12-27(20)21(18-7-2-1-3-8-18)23(30)26-15-13-25(14-16-26)22(29)19-9-6-11-24-17-19/h1-3,6-9,11,17,21H,4-5,10,12-16H2
InChIKeyFOIBUSWSNJPFJO-UHFFFAOYSA-N
XLogP2.12
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56504647
1-(2-morpholin-4-yl-2-oxo-1-pyridin-3-ylethyl)pyrrolidin-2-one
CID 71083509
1-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56506103
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
1-(pyridine-3-carbonyl)piperidin-2-one
CID 18935202
[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 166114858
(3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638802
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 56515108
N,N-diethyl-4-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperazine-1-sulfonamide
CID 56516350
1-[2-oxo-1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]piperidin-2-one
CID 56515315
(2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 8597142
1-[2-[2-(difluoromethyl)morpholin-4-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 119038037

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-1-phenyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-oxo-1-phenyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one (CID 56577826) is 1-[2-oxo-1-phenyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-oxo-1-phenyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-oxo-1-phenyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one is O=C(c1cccnc1)N1CCN(C(=O)C(c2ccccc2)N2CCCCC2=O)CC1.
What is the InChIKey of 1-[2-oxo-1-phenyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one?
The InChIKey is FOIBUSWSNJPFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-20-10-4-5-12-27(20)21(18-7-2-1-3-8-18)23(30)26-15-13-25(14-16-26)22(29)19-9-6-11-24-17-19/h1-3,6-9,11,17,21H,4-5,10,12-16H2.
What are the key properties of 1-[2-oxo-1-phenyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one?
1-[2-oxo-1-phenyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one has a molecular weight of 406.49 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-1-phenyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one is sourced from PubChem (CID 56577826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).