3-chloro-5-[3-(3-phenylpropanoyl)piperidine-1-carbonyl]-1H-pyridin-2-one

C20H21ClN2O3 — CID 70732162

IUPAC3-chloro-5-[3-(3-phenylpropanoyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(CCc1ccccc1)C1CCCN(C(=O)c2c[nH]c(=O)c(Cl)c2)C1
InChIInChI=1S/C20H21ClN2O3/c21-17-11-16(12-22-19(17)25)20(26)23-10-4-7-15(13-23)18(24)9-8-14-5-2-1-3-6-14/h1-3,5-6,11-12,15H,4,7-10,13H2,(H,22,25)
InChIKeyURUHRGSTMMYNBY-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.08
Rot. Bonds5

About 3-chloro-5-[3-(3-phenylpropanoyl)piperidine-1-carbonyl]-1H-pyridin-2-one

3-chloro-5-[3-(3-phenylpropanoyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 70732162) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 3-chloro-5-[3-(3-phenylpropanoyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-[3-(3-phenylpropanoyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID70732162
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name3-chloro-5-[3-(3-phenylpropanoyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(CCc1ccccc1)C1CCCN(C(=O)c2c[nH]c(=O)c(Cl)c2)C1
InChIInChI=1S/C20H21ClN2O3/c21-17-11-16(12-22-19(17)25)20(26)23-10-4-7-15(13-23)18(24)9-8-14-5-2-1-3-6-14/h1-3,5-6,11-12,15H,4,7-10,13H2,(H,22,25)
InChIKeyURUHRGSTMMYNBY-UHFFFAOYSA-N
XLogP3.08
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-methylthiophene-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one
CID 70760484
3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one
CID 95713443
3-chloro-5-[3-(2-methylphenyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70763427
3-chloro-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one
CID 77081700
(3S,4S)-4-benzyl-1-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-3-hydroxypiperidine-4-carboxylic acid
CID 135112979
3-chloro-5-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 124939624
5-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-3-chloro-1H-pyridin-2-one
CID 70708168
5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-chloro-1H-pyridin-2-one
CID 56908564
1-[1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one
CID 70770080
2-methyl-1-[(3R)-3-(3-phenylpropanoyl)piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 96577086
3-chloro-5-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97154594
3-chloro-5-[4-[hydroxy(diphenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 44756569

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[3-(3-phenylpropanoyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-[3-(3-phenylpropanoyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 70732162) is 3-chloro-5-[3-(3-phenylpropanoyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-[3-(3-phenylpropanoyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-[3-(3-phenylpropanoyl)piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(CCc1ccccc1)C1CCCN(C(=O)c2c[nH]c(=O)c(Cl)c2)C1.
What is the InChIKey of 3-chloro-5-[3-(3-phenylpropanoyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is URUHRGSTMMYNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c21-17-11-16(12-22-19(17)25)20(26)23-10-4-7-15(13-23)18(24)9-8-14-5-2-1-3-6-14/h1-3,5-6,11-12,15H,4,7-10,13H2,(H,22,25).
What are the key properties of 3-chloro-5-[3-(3-phenylpropanoyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
3-chloro-5-[3-(3-phenylpropanoyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 372.85 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[3-(3-phenylpropanoyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 70732162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).