1-[3-oxo-3-[4-(4-phenylpyrazolidin-3-yl)piperidin-1-yl]propyl]pyridin-2-one

C22H28N4O2 — CID 78085466

IUPAC1-[3-oxo-3-[4-(4-phenylpyrazolidin-3-yl)piperidin-1-yl]propyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCC(C2NNCC2c2ccccc2)CC1
InChIInChI=1S/C22H28N4O2/c27-20-8-4-5-12-25(20)15-11-21(28)26-13-9-18(10-14-26)22-19(16-23-24-22)17-6-2-1-3-7-17/h1-8,12,18-19,22-24H,9-11,13-16H2
InChIKeyUEERWJORWKVYNO-UHFFFAOYSA-N
MW380.49 g/mol
LogP1.74
Rot. Bonds5

About 1-[3-oxo-3-[4-(4-phenylpyrazolidin-3-yl)piperidin-1-yl]propyl]pyridin-2-one

1-[3-oxo-3-[4-(4-phenylpyrazolidin-3-yl)piperidin-1-yl]propyl]pyridin-2-one (PubChem CID 78085466) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[3-oxo-3-[4-(4-phenylpyrazolidin-3-yl)piperidin-1-yl]propyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-oxo-3-[4-(4-phenylpyrazolidin-3-yl)piperidin-1-yl]propyl]pyridin-2-one
PubChem CID78085466
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-[3-oxo-3-[4-(4-phenylpyrazolidin-3-yl)piperidin-1-yl]propyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1CCC(C2NNCC2c2ccccc2)CC1
InChIInChI=1S/C22H28N4O2/c27-20-8-4-5-12-25(20)15-11-21(28)26-13-9-18(10-14-26)22-19(16-23-24-22)17-6-2-1-3-7-17/h1-8,12,18-19,22-24H,9-11,13-16H2
InChIKeyUEERWJORWKVYNO-UHFFFAOYSA-N
XLogP1.74
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(3S,4R)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 155500037
1-[3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 139000061
4-[[1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 70720465
1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]pyridin-2-one
CID 78863276
1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 70747255
1-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 66261805
1-[3-(2-oxo-1-pyridinyl)propanoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 154746476
(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
N-cyclopropyl-2-[4-[3-(2-oxo-1-pyridinyl)propanoyl]piperazin-1-yl]propanamide
CID 86979582
1-[3-[2-(hydroxymethyl)azepan-1-yl]-3-oxopropyl]pyridin-2-one
CID 116636217
1-[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 103726896

Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-[4-(4-phenylpyrazolidin-3-yl)piperidin-1-yl]propyl]pyridin-2-one?
The IUPAC name of 1-[3-oxo-3-[4-(4-phenylpyrazolidin-3-yl)piperidin-1-yl]propyl]pyridin-2-one (CID 78085466) is 1-[3-oxo-3-[4-(4-phenylpyrazolidin-3-yl)piperidin-1-yl]propyl]pyridin-2-one.
What is the SMILES notation for 1-[3-oxo-3-[4-(4-phenylpyrazolidin-3-yl)piperidin-1-yl]propyl]pyridin-2-one?
The canonical SMILES for 1-[3-oxo-3-[4-(4-phenylpyrazolidin-3-yl)piperidin-1-yl]propyl]pyridin-2-one is O=C(CCn1ccccc1=O)N1CCC(C2NNCC2c2ccccc2)CC1.
What is the InChIKey of 1-[3-oxo-3-[4-(4-phenylpyrazolidin-3-yl)piperidin-1-yl]propyl]pyridin-2-one?
The InChIKey is UEERWJORWKVYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-20-8-4-5-12-25(20)15-11-21(28)26-13-9-18(10-14-26)22-19(16-23-24-22)17-6-2-1-3-7-17/h1-8,12,18-19,22-24H,9-11,13-16H2.
What are the key properties of 1-[3-oxo-3-[4-(4-phenylpyrazolidin-3-yl)piperidin-1-yl]propyl]pyridin-2-one?
1-[3-oxo-3-[4-(4-phenylpyrazolidin-3-yl)piperidin-1-yl]propyl]pyridin-2-one has a molecular weight of 380.49 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-[4-(4-phenylpyrazolidin-3-yl)piperidin-1-yl]propyl]pyridin-2-one is sourced from PubChem (CID 78085466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).