[1-(4-aminobenzoyl)azetidin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone

C20H28N4O2 — CID 70221560

IUPAC[1-(4-aminobenzoyl)azetidin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone
SMILESNc1ccc(C(=O)N2CC(C(=O)N3CCCN(C4CCC4)CC3)C2)cc1
InChIInChI=1S/C20H28N4O2/c21-17-7-5-15(6-8-17)19(25)24-13-16(14-24)20(26)23-10-2-9-22(11-12-23)18-3-1-4-18/h5-8,16,18H,1-4,9-14,21H2
InChIKeyLTZKHKJAKBQGGT-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.43
Rot. Bonds3

About [1-(4-aminobenzoyl)azetidin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone

[1-(4-aminobenzoyl)azetidin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone (PubChem CID 70221560) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is [1-(4-aminobenzoyl)azetidin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-aminobenzoyl)azetidin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone
PubChem CID70221560
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name[1-(4-aminobenzoyl)azetidin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone
SMILESNc1ccc(C(=O)N2CC(C(=O)N3CCCN(C4CCC4)CC3)C2)cc1
InChIInChI=1S/C20H28N4O2/c21-17-7-5-15(6-8-17)19(25)24-13-16(14-24)20(26)23-10-2-9-22(11-12-23)18-3-1-4-18/h5-8,16,18H,1-4,9-14,21H2
InChIKeyLTZKHKJAKBQGGT-UHFFFAOYSA-N
XLogP1.43
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.43
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

N-(4-aminophenyl)-3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-methylazetidine-1-carboxamide
CID 70219044
(4-aminophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone;dihydrochloride
CID 119842939
[5-[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidine-1-carbonyl]-2-pyridinyl] acetate
CID 175270953
(4-chlorophenyl)-(4-cyclobutyl-1,4-diazepan-1-yl)methanone;hydrochloride
CID 162320465
[1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 119700503
[4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 59625892
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
azetidin-3-yl-(4-cyclobutyl-1,4-diazepan-1-yl)methanone;(4-cyclobutyl-1,4-diazepan-1-yl)-[1-(2-methylpyrimidine-5-carbonyl)azetidin-3-yl]methanone;2-methylpyrimidine-5-carboxylic acid
CID 159024872
(4-aminophenyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669539
(4-cyclobutyl-1,4-diazepan-1-yl)-(4-ethylphenyl)methanone
CID 131702217
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947
[4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 60947643

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminobenzoyl)azetidin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [1-(4-aminobenzoyl)azetidin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone (CID 70221560) is [1-(4-aminobenzoyl)azetidin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [1-(4-aminobenzoyl)azetidin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [1-(4-aminobenzoyl)azetidin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone is Nc1ccc(C(=O)N2CC(C(=O)N3CCCN(C4CCC4)CC3)C2)cc1.
What is the InChIKey of [1-(4-aminobenzoyl)azetidin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone?
The InChIKey is LTZKHKJAKBQGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c21-17-7-5-15(6-8-17)19(25)24-13-16(14-24)20(26)23-10-2-9-22(11-12-23)18-3-1-4-18/h5-8,16,18H,1-4,9-14,21H2.
What are the key properties of [1-(4-aminobenzoyl)azetidin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone?
[1-(4-aminobenzoyl)azetidin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone has a molecular weight of 356.47 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminobenzoyl)azetidin-3-yl]-(4-cyclobutyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 70221560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).