5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one

C21H23N3O4 — CID 91954933

IUPAC5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one
SMILESO=C(c1ccc(=O)n(-c2ccccc2)c1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C21H23N3O4/c25-19-9-8-16(15-24(19)17-5-2-1-3-6-17)20(26)22-10-12-23(13-11-22)21(27)18-7-4-14-28-18/h1-3,5-6,8-9,15,18H,4,7,10-14H2
InChIKeyHHWOXXAEVNIVSS-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.30
Rot. Bonds3

About 5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one

5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one (PubChem CID 91954933) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one.

Molecular Properties

Compound Name5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one
PubChem CID91954933
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one
SMILESO=C(c1ccc(=O)n(-c2ccccc2)c1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C21H23N3O4/c25-19-9-8-16(15-24(19)17-5-2-1-3-6-17)20(26)22-10-12-23(13-11-22)21(27)18-7-4-14-28-18/h1-3,5-6,8-9,15,18H,4,7,10-14H2
InChIKeyHHWOXXAEVNIVSS-UHFFFAOYSA-N
XLogP1.30
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one
CID 91945531
[4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51183590
[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 4878720
6-[4-[(2R)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one
CID 93068578
[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 119267990
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607
[(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 7831176
[(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 7346665
2-[1-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]ethylidene]indene-1,3-dione
CID 2025294
[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 108547614
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538

Frequently Asked Questions

What is the IUPAC name of 5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one?
The IUPAC name of 5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one (CID 91954933) is 5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one.
What is the SMILES notation for 5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one?
The canonical SMILES for 5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one is O=C(c1ccc(=O)n(-c2ccccc2)c1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one?
The InChIKey is HHWOXXAEVNIVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c25-19-9-8-16(15-24(19)17-5-2-1-3-6-17)20(26)22-10-12-23(13-11-22)21(27)18-7-4-14-28-18/h1-3,5-6,8-9,15,18H,4,7,10-14H2.
What are the key properties of 5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one?
5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one has a molecular weight of 381.43 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyridin-2-one is sourced from PubChem (CID 91954933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).