1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one

C20H22N2O3 — CID 70747255

IUPAC1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
SMILESO=C(c1ccccc1)C1CCCN(C(=O)CCn2ccccc2=O)C1
InChIInChI=1S/C20H22N2O3/c23-18-10-4-5-12-21(18)14-11-19(24)22-13-6-9-17(15-22)20(25)16-7-2-1-3-8-16/h1-5,7-8,10,12,17H,6,9,11,13-15H2
InChIKeyIAMUCUZDUJUWQQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.36
Rot. Bonds5

About 1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one

1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one (PubChem CID 70747255) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
PubChem CID70747255
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
SMILESO=C(c1ccccc1)C1CCCN(C(=O)CCn2ccccc2=O)C1
InChIInChI=1S/C20H22N2O3/c23-18-10-4-5-12-21(18)14-11-19(24)22-13-6-9-17(15-22)20(25)16-7-2-1-3-8-16/h1-5,7-8,10,12,17H,6,9,11,13-15H2
InChIKeyIAMUCUZDUJUWQQ-UHFFFAOYSA-N
XLogP2.36
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 96580971
1-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 71926835
1-[3-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 96514400
4-[(3R)-3-benzoylpiperidin-1-yl]-4-oxobutane-1-sulfonamide
CID 95223490
1-(3-benzoylpiperidin-1-yl)-3-methylbutan-1-one
CID 110394462
4-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 70720465
1-[3-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 95777816
(4aS,8aS)-6-[3-(2-oxo-1-pyridinyl)propanoyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 110147167
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyridin-2-one;hydrochloride
CID 119580605
1-[(3S)-3-benzoylpiperidin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
CID 95225274
1-[3-[2-(hydroxymethyl)azepan-1-yl]-3-oxopropyl]pyridin-2-one
CID 116636217
3-methylsulfanyl-1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one
CID 42309527

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one (CID 70747255) is 1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one is O=C(c1ccccc1)C1CCCN(C(=O)CCn2ccccc2=O)C1.
What is the InChIKey of 1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one?
The InChIKey is IAMUCUZDUJUWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-18-10-4-5-12-21(18)14-11-19(24)22-13-6-9-17(15-22)20(25)16-7-2-1-3-8-16/h1-5,7-8,10,12,17H,6,9,11,13-15H2.
What are the key properties of 1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one?
1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 70747255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).