N-phenyl-3-(4-phenylpiperazin-1-yl)azetidine-1-carboxamide

C20H24N4O — CID 23140121

IUPACN-phenyl-3-(4-phenylpiperazin-1-yl)azetidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CC(N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C20H24N4O/c25-20(21-17-7-3-1-4-8-17)24-15-19(16-24)23-13-11-22(12-14-23)18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,21,25)
InChIKeyIBDBVFSSVQCFLQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.72
Rot. Bonds3

About N-phenyl-3-(4-phenylpiperazin-1-yl)azetidine-1-carboxamide

N-phenyl-3-(4-phenylpiperazin-1-yl)azetidine-1-carboxamide (PubChem CID 23140121) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-phenyl-3-(4-phenylpiperazin-1-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-3-(4-phenylpiperazin-1-yl)azetidine-1-carboxamide
PubChem CID23140121
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-phenyl-3-(4-phenylpiperazin-1-yl)azetidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CC(N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C20H24N4O/c25-20(21-17-7-3-1-4-8-17)24-15-19(16-24)23-13-11-22(12-14-23)18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,21,25)
InChIKeyIBDBVFSSVQCFLQ-UHFFFAOYSA-N
XLogP2.72
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23140407
1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea
CID 110288066
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide
CID 59764610
N-(4-fluorophenyl)-3-morpholin-4-ylazetidine-1-carboxamide
CID 23140323
N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140487
4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
N-(3-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)piperidine-1-carboxamide
CID 45245976
N-(3-cyclopentyloxyphenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide
CID 23139953
3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide
CID 23140030
N-(3-cyclohexyloxyphenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide
CID 67082409
1-[1-(phenylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79312333

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(4-phenylpiperazin-1-yl)azetidine-1-carboxamide?
The IUPAC name of N-phenyl-3-(4-phenylpiperazin-1-yl)azetidine-1-carboxamide (CID 23140121) is N-phenyl-3-(4-phenylpiperazin-1-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-phenyl-3-(4-phenylpiperazin-1-yl)azetidine-1-carboxamide?
The canonical SMILES for N-phenyl-3-(4-phenylpiperazin-1-yl)azetidine-1-carboxamide is O=C(Nc1ccccc1)N1CC(N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of N-phenyl-3-(4-phenylpiperazin-1-yl)azetidine-1-carboxamide?
The InChIKey is IBDBVFSSVQCFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-20(21-17-7-3-1-4-8-17)24-15-19(16-24)23-13-11-22(12-14-23)18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,21,25).
What are the key properties of N-phenyl-3-(4-phenylpiperazin-1-yl)azetidine-1-carboxamide?
N-phenyl-3-(4-phenylpiperazin-1-yl)azetidine-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(4-phenylpiperazin-1-yl)azetidine-1-carboxamide is sourced from PubChem (CID 23140121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).