(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone

C16H23N3O — CID 119399365

IUPAC(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone
SMILESNC1(C(=O)N2CCCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C16H23N3O/c17-16(7-8-16)15(20)19-10-4-9-18(11-12-19)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13,17H2
InChIKeyZUADKYAAGLAANO-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.21
Rot. Bonds3

About (1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone

(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone (PubChem CID 119399365) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone
PubChem CID119399365
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone
SMILESNC1(C(=O)N2CCCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C16H23N3O/c17-16(7-8-16)15(20)19-10-4-9-18(11-12-19)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13,17H2
InChIKeyZUADKYAAGLAANO-UHFFFAOYSA-N
XLogP1.21
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119399364
2-(4-benzyl-1,4-diazepan-1-yl)-2-oxoacetic acid
CID 141207482
(1-aminocyclopentyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 119832653
(1-aminocyclohexyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 119831345
1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119872708
(4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987856
2-amino-1-(4-benzylpiperazin-1-yl)ethanone;2-amino-1-piperidin-1-ylethanone
CID 143109994
(2R)-2-amino-1-(4-benzyl-1,4-diazepan-1-yl)propan-1-one;dihydrochloride
CID 119399410
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
(4-benzylpiperazin-1-yl)-(1-pyrrol-1-ylcyclohexyl)methanone
CID 46328243

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of (1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone (CID 119399365) is (1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for (1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for (1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone is NC1(C(=O)N2CCCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone?
The InChIKey is ZUADKYAAGLAANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-16(7-8-16)15(20)19-10-4-9-18(11-12-19)13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13,17H2.
What are the key properties of (1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone?
(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 119399365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).