3-[[cyclobutyl(phenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

C18H28ClN3O — CID 120982236

IUPAC3-[[cyclobutyl(phenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCNC(c1ccccc1)C1CCC1)N1CCNCC1
InChIInChI=1S/C18H27N3O.ClH/c22-17(21-13-11-19-12-14-21)9-10-20-18(16-7-4-8-16)15-5-2-1-3-6-15;/h1-3,5-6,16,18-20H,4,7-14H2;1H
InChIKeyGDVUDQUPACILDD-UHFFFAOYSA-N
MW337.90 g/mol
LogP2.36
Rot. Bonds6

About 3-[[cyclobutyl(phenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

3-[[cyclobutyl(phenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120982236) has the molecular formula C18H28ClN3O and a molecular weight of 337.90 g/mol. Its IUPAC name is 3-[[cyclobutyl(phenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[[cyclobutyl(phenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120982236
Molecular FormulaC18H28ClN3O
Molecular Weight337.90 g/mol
Exact Mass337.19
IUPAC Name3-[[cyclobutyl(phenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCNC(c1ccccc1)C1CCC1)N1CCNCC1
InChIInChI=1S/C18H27N3O.ClH/c22-17(21-13-11-19-12-14-21)9-10-20-18(16-7-4-8-16)15-5-2-1-3-6-15;/h1-3,5-6,16,18-20H,4,7-14H2;1H
InChIKeyGDVUDQUPACILDD-UHFFFAOYSA-N
XLogP2.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.90
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[cyclobutyl(phenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride 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

3-[[cyclopropyl(phenyl)methyl]amino]-1-piperidin-1-ylpropan-1-one
CID 115753017
3-[[cyclopropyl(phenyl)methyl]amino]propanamide
CID 60713317
4-[[cyclohexyl(phenyl)methyl]amino]butanoic acid
CID 60782540
1-cyclobutyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine
CID 119932504
4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid
CID 61312384
3-phenyl-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119401565
4-[[cyclobutyl-(4-fluorophenyl)methyl]amino]butanoic acid
CID 119958670
3-[(2-methyl-1-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78860650
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
3-(cyclopropylamino)-1-piperazin-1-ylpropan-1-one
CID 60866002
1-(4-acetylpiperazin-1-yl)-3-(1-phenylethylamino)propan-1-one
CID 109018108
3-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980467

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclobutyl(phenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-[[cyclobutyl(phenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120982236) is 3-[[cyclobutyl(phenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[[cyclobutyl(phenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[[cyclobutyl(phenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is Cl.O=C(CCNC(c1ccccc1)C1CCC1)N1CCNCC1.
What is the InChIKey of 3-[[cyclobutyl(phenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is GDVUDQUPACILDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.ClH/c22-17(21-13-11-19-12-14-21)9-10-20-18(16-7-4-8-16)15-5-2-1-3-6-15;/h1-3,5-6,16,18-20H,4,7-14H2;1H.
What are the key properties of 3-[[cyclobutyl(phenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-[[cyclobutyl(phenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 337.90 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclobutyl(phenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120982236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).