[4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone

C21H24N4O2 — CID 59625892

IUPAC[4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
SMILESNc1ccc(C(=O)N2CC(N3CCN(C(=O)c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C21H24N4O2/c22-18-8-6-17(7-9-18)21(27)25-14-19(15-25)23-10-12-24(13-11-23)20(26)16-4-2-1-3-5-16/h1-9,19H,10-15,22H2
InChIKeyOFJWZHYNIXZOFP-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.55
Rot. Bonds3

About [4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone

[4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 59625892) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is [4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
PubChem CID59625892
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name[4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
SMILESNc1ccc(C(=O)N2CC(N3CCN(C(=O)c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C21H24N4O2/c22-18-8-6-17(7-9-18)21(27)25-14-19(15-25)23-10-12-24(13-11-23)20(26)16-4-2-1-3-5-16/h1-9,19H,10-15,22H2
InChIKeyOFJWZHYNIXZOFP-UHFFFAOYSA-N
XLogP1.55
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-[1-(4-morpholin-4-ylbenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66840390
(3R)-3-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenoxy]pyrrolidine-1-carboxylic acid
CID 71231946
[4-[1-(2-aminopropan-2-yl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 147395489
(4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
CID 66840199
phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840430
N-[4-[3-(4-benzoylpiperazin-1-yl)azetidine-1-carbonyl]phenyl]-4,4,4-trifluorobutanamide
CID 59625912
[1-(4-aminobenzoyl)azetidin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone
CID 70221560
(3-aminophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54904602
(4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119842939
[4-[1-[4-(naphthalen-2-ylmethylamino)benzoyl]azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 59625930
phenyl-[4-[1-(1-pyrimidin-2-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
CID 66840009
[4-[1-(2-methyl-5-phenylfuran-3-carbonyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 66840052

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone (CID 59625892) is [4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone is Nc1ccc(C(=O)N2CC(N3CCN(C(=O)c4ccccc4)CC3)C2)cc1.
What is the InChIKey of [4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is OFJWZHYNIXZOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c22-18-8-6-17(7-9-18)21(27)25-14-19(15-25)23-10-12-24(13-11-23)20(26)16-4-2-1-3-5-16/h1-9,19H,10-15,22H2.
What are the key properties of [4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone?
[4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 364.45 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 59625892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).