4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide

C20H20N4O2 — CID 46344313

IUPAC4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(n2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C20H20N4O2/c25-19-17-8-4-5-9-18(17)21-14-24(19)16-10-12-23(13-11-16)20(26)22-15-6-2-1-3-7-15/h1-9,14,16H,10-13H2,(H,22,26)
InChIKeyKMBUGKPMCUUIJU-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.27
Rot. Bonds2

About 4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide

4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide (PubChem CID 46344313) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide
PubChem CID46344313
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(n2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C20H20N4O2/c25-19-17-8-4-5-9-18(17)21-14-24(19)16-10-12-23(13-11-16)20(26)22-15-6-2-1-3-7-15/h1-9,14,16H,10-13H2,(H,22,26)
InChIKeyKMBUGKPMCUUIJU-UHFFFAOYSA-N
XLogP3.27
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-4-(8-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxamide
CID 50828300
3-cyclobutylquinazolin-4-one
CID 171781936
4-(6-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
CID 50828302
4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 50828271
4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 50828339
4-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 50828166
3-(1-benzylsulfonylpiperidin-4-yl)quinazolin-4-one
CID 53010931
4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 22047977
3-[1-(7-azaspiro[3.5]nonane-2-carbonyl)pyrrolidin-3-yl]quinazolin-4-one
CID 167990048
cis-ethyl (1R,2S)-2-[3-(4-oxoquinazolin-3-yl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylate
CID 154847151
3-[1-(3,3-diphenylpropanoyl)piperidin-3-yl]quinazolin-4-one
CID 121021700
N-(3,5-dimethoxyphenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide
CID 46286550

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide (CID 46344313) is 4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC(n2cnc3ccccc3c2=O)CC1.
What is the InChIKey of 4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide?
The InChIKey is KMBUGKPMCUUIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19-17-8-4-5-9-18(17)21-14-24(19)16-10-12-23(13-11-16)20(26)22-15-6-2-1-3-7-15/h1-9,14,16H,10-13H2,(H,22,26).
What are the key properties of 4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide?
4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46344313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).