2-(1-aminocyclobutyl)-1-(4-benzoyl-1,4-diazepan-1-yl)ethanone;hydrochloride

C18H26ClN3O2 — CID 75495951

IUPAC2-(1-aminocyclobutyl)-1-(4-benzoyl-1,4-diazepan-1-yl)ethanone;hydrochloride
SMILESCl.NC1(CC(=O)N2CCCN(C(=O)c3ccccc3)CC2)CCC1
InChIInChI=1S/C18H25N3O2.ClH/c19-18(8-4-9-18)14-16(22)20-10-5-11-21(13-12-20)17(23)15-6-2-1-3-7-15;/h1-3,6-7H,4-5,8-14,19H2;1H
InChIKeyFUTZPDBXGNUYNC-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.05
Rot. Bonds3

About 2-(1-aminocyclobutyl)-1-(4-benzoyl-1,4-diazepan-1-yl)ethanone;hydrochloride

2-(1-aminocyclobutyl)-1-(4-benzoyl-1,4-diazepan-1-yl)ethanone;hydrochloride (PubChem CID 75495951) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-(4-benzoyl-1,4-diazepan-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-(4-benzoyl-1,4-diazepan-1-yl)ethanone;hydrochloride
PubChem CID75495951
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name2-(1-aminocyclobutyl)-1-(4-benzoyl-1,4-diazepan-1-yl)ethanone;hydrochloride
SMILESCl.NC1(CC(=O)N2CCCN(C(=O)c3ccccc3)CC2)CCC1
InChIInChI=1S/C18H25N3O2.ClH/c19-18(8-4-9-18)14-16(22)20-10-5-11-21(13-12-20)17(23)15-6-2-1-3-7-15;/h1-3,6-7H,4-5,8-14,19H2;1H
InChIKeyFUTZPDBXGNUYNC-UHFFFAOYSA-N
XLogP2.05
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclobutyl)-1-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]ethanone
CID 91659714
2-(1-aminocyclobutyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 79843787
2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone
CID 79851408
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
1-(4-acetyl-1,4-diazepan-1-yl)-2-(1-aminocyclopentyl)ethanone
CID 64679240
(2S)-2-amino-1-(4-benzoyl-1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119291825
1-(4-benzoylpiperazin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119683440
2-[3-(4-benzoyl-1,4-diazepan-1-yl)-3-oxopropyl]benzoic acid
CID 120549443
1-(4-benzoyl-1,4-diazepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 108547755
(4-aminopiperazin-1-yl)-phenylmethanone
CID 12554633
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 63308450
3-amino-1-(4-benzoylpiperazin-1-yl)-3-methylbutan-1-one
CID 64678812

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-(4-benzoyl-1,4-diazepan-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(1-aminocyclobutyl)-1-(4-benzoyl-1,4-diazepan-1-yl)ethanone;hydrochloride (CID 75495951) is 2-(1-aminocyclobutyl)-1-(4-benzoyl-1,4-diazepan-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-(4-benzoyl-1,4-diazepan-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-(4-benzoyl-1,4-diazepan-1-yl)ethanone;hydrochloride is Cl.NC1(CC(=O)N2CCCN(C(=O)c3ccccc3)CC2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-(4-benzoyl-1,4-diazepan-1-yl)ethanone;hydrochloride?
The InChIKey is FUTZPDBXGNUYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c19-18(8-4-9-18)14-16(22)20-10-5-11-21(13-12-20)17(23)15-6-2-1-3-7-15;/h1-3,6-7H,4-5,8-14,19H2;1H.
What are the key properties of 2-(1-aminocyclobutyl)-1-(4-benzoyl-1,4-diazepan-1-yl)ethanone;hydrochloride?
2-(1-aminocyclobutyl)-1-(4-benzoyl-1,4-diazepan-1-yl)ethanone;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-(4-benzoyl-1,4-diazepan-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 75495951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).