3-(4-oxoquinazolin-3-yl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]azetidine-1-carboxamide

C25H29N5O2 — CID 154873668

IUPAC3-(4-oxoquinazolin-3-yl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]azetidine-1-carboxamide
SMILESO=C(NCCc1ccc(N2CCCCC2)cc1)N1CC(n2cnc3ccccc3c2=O)C1
InChIInChI=1S/C25H29N5O2/c31-24-22-6-2-3-7-23(22)27-18-30(24)21-16-29(17-21)25(32)26-13-12-19-8-10-20(11-9-19)28-14-4-1-5-15-28/h2-3,6-11,18,21H,1,4-5,12-17H2,(H,26,32)
InChIKeyDWSWEFYWXSLAMB-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.20
Rot. Bonds5

About 3-(4-oxoquinazolin-3-yl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]azetidine-1-carboxamide

3-(4-oxoquinazolin-3-yl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]azetidine-1-carboxamide (PubChem CID 154873668) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-(4-oxoquinazolin-3-yl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-oxoquinazolin-3-yl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]azetidine-1-carboxamide
PubChem CID154873668
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name3-(4-oxoquinazolin-3-yl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]azetidine-1-carboxamide
SMILESO=C(NCCc1ccc(N2CCCCC2)cc1)N1CC(n2cnc3ccccc3c2=O)C1
InChIInChI=1S/C25H29N5O2/c31-24-22-6-2-3-7-23(22)27-18-30(24)21-16-29(17-21)25(32)26-13-12-19-8-10-20(11-9-19)28-14-4-1-5-15-28/h2-3,6-11,18,21H,1,4-5,12-17H2,(H,26,32)
InChIKeyDWSWEFYWXSLAMB-UHFFFAOYSA-N
XLogP3.20
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113108912
N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24512604
3-cyclobutylquinazolin-4-one
CID 171781936
4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide
CID 46344313
3-[1-(3,3-diphenylpropanoyl)piperidin-3-yl]quinazolin-4-one
CID 121021700
N'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide
CID 16892223
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
3-(4-oxoquinazolin-3-yl)-N-[(3-piperidin-1-ylphenyl)methyl]propanamide
CID 46977564
N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 110404973
2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide
CID 16889525
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-N'-(2-chlorophenyl)oxamide
CID 16891452
3-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]quinazolin-4-one
CID 121193436

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]azetidine-1-carboxamide?
The IUPAC name of 3-(4-oxoquinazolin-3-yl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]azetidine-1-carboxamide (CID 154873668) is 3-(4-oxoquinazolin-3-yl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-oxoquinazolin-3-yl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]azetidine-1-carboxamide?
The canonical SMILES for 3-(4-oxoquinazolin-3-yl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]azetidine-1-carboxamide is O=C(NCCc1ccc(N2CCCCC2)cc1)N1CC(n2cnc3ccccc3c2=O)C1.
What is the InChIKey of 3-(4-oxoquinazolin-3-yl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]azetidine-1-carboxamide?
The InChIKey is DWSWEFYWXSLAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c31-24-22-6-2-3-7-23(22)27-18-30(24)21-16-29(17-21)25(32)26-13-12-19-8-10-20(11-9-19)28-14-4-1-5-15-28/h2-3,6-11,18,21H,1,4-5,12-17H2,(H,26,32).
What are the key properties of 3-(4-oxoquinazolin-3-yl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]azetidine-1-carboxamide?
3-(4-oxoquinazolin-3-yl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]azetidine-1-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoquinazolin-3-yl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]azetidine-1-carboxamide is sourced from PubChem (CID 154873668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).