1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea

C17H18N4O2 — CID 166208852

IUPAC1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCCN(c2cccnc2)C1=O
InChIInChI=1S/C17H18N4O2/c22-16-15(20-17(23)19-13-6-2-1-3-7-13)9-5-11-21(16)14-8-4-10-18-12-14/h1-4,6-8,10,12,15H,5,9,11H2,(H2,19,20,23)
InChIKeyXSNLQPSZPBJRHJ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.40
Rot. Bonds3

About 1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea

1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea (PubChem CID 166208852) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea
PubChem CID166208852
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCCN(c2cccnc2)C1=O
InChIInChI=1S/C17H18N4O2/c22-16-15(20-17(23)19-13-6-2-1-3-7-13)9-5-11-21(16)14-8-4-10-18-12-14/h1-4,6-8,10,12,15H,5,9,11H2,(H2,19,20,23)
InChIKeyXSNLQPSZPBJRHJ-UHFFFAOYSA-N
XLogP2.40
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)furan-2-carboxamide
CID 75503381
[2-[4-[2-oxo-3-(phenylcarbamoylamino)piperidin-1-yl]phenyl]phenyl]azanide;tungsten
CID 155745678
1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea
CID 97351700
methyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate
CID 124616584
3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid
CID 122002288
1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide
CID 126820989
2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119185398
1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea
CID 163572506
(3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one
CID 124886074
1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124590960
1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95051231
2-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 119787596

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea?
The IUPAC name of 1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea (CID 166208852) is 1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea?
The canonical SMILES for 1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea is O=C(Nc1ccccc1)NC1CCCN(c2cccnc2)C1=O.
What is the InChIKey of 1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea?
The InChIKey is XSNLQPSZPBJRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-16-15(20-17(23)19-13-6-2-1-3-7-13)9-5-11-21(16)14-8-4-10-18-12-14/h1-4,6-8,10,12,15H,5,9,11H2,(H2,19,20,23).
What are the key properties of 1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea?
1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea has a molecular weight of 310.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea is sourced from PubChem (CID 166208852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).