4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one

C16H16ClN3O2 — CID 110332289

IUPAC4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one
SMILESO=C(c1cc(-c2ccc(Cl)cc2)nc(=O)[nH]1)N1CCCCC1
InChIInChI=1S/C16H16ClN3O2/c17-12-6-4-11(5-7-12)13-10-14(19-16(22)18-13)15(21)20-8-2-1-3-9-20/h4-7,10H,1-3,8-9H2,(H,18,19,22)
InChIKeyHRQOAQBQQLMGHZ-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.72
Rot. Bonds2

About 4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one

4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one (PubChem CID 110332289) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one
PubChem CID110332289
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one
SMILESO=C(c1cc(-c2ccc(Cl)cc2)nc(=O)[nH]1)N1CCCCC1
InChIInChI=1S/C16H16ClN3O2/c17-12-6-4-11(5-7-12)13-10-14(19-16(22)18-13)15(21)20-8-2-1-3-9-20/h4-7,10H,1-3,8-9H2,(H,18,19,22)
InChIKeyHRQOAQBQQLMGHZ-UHFFFAOYSA-N
XLogP2.72
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[4-(4-chlorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]piperazine-1-carboxylate
CID 110332311
4-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332158
6-(4-methylpiperazine-1-carbonyl)-4-phenyl-1H-pyrimidin-2-one
CID 110332074
4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
CID 110295361
4-(2,5-dimethylphenyl)-6-(pyrrolidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332406
6-(4-benzylpiperazine-1-carbonyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one
CID 110332244
4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110295412
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(1,4-diazepan-1-yl)methanone
CID 119414620
1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylic acid
CID 154743582
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
4-[4-(3,4-dimethylphenyl)-2-oxo-1H-pyrimidine-6-carbonyl]piperazine-1-carbaldehyde
CID 110332553
azepan-1-yl-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 46920429

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one (CID 110332289) is 4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one is O=C(c1cc(-c2ccc(Cl)cc2)nc(=O)[nH]1)N1CCCCC1.
What is the InChIKey of 4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one?
The InChIKey is HRQOAQBQQLMGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-12-6-4-11(5-7-12)13-10-14(19-16(22)18-13)15(21)20-8-2-1-3-9-20/h4-7,10H,1-3,8-9H2,(H,18,19,22).
What are the key properties of 4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one?
4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one has a molecular weight of 317.78 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 110332289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).