1-[4-[[3-(3-bromophenyl)cyclobutyl]amino]piperidin-1-yl]ethanone

C17H23BrN2O — CID 43746005

IUPAC1-[4-[[3-(3-bromophenyl)cyclobutyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2CC(c3cccc(Br)c3)C2)CC1
InChIInChI=1S/C17H23BrN2O/c1-12(21)20-7-5-16(6-8-20)19-17-10-14(11-17)13-3-2-4-15(18)9-13/h2-4,9,14,16-17,19H,5-8,10-11H2,1H3
InChIKeyBSKLVDOWCOAYGS-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.30
Rot. Bonds3

About 1-[4-[[3-(3-bromophenyl)cyclobutyl]amino]piperidin-1-yl]ethanone

1-[4-[[3-(3-bromophenyl)cyclobutyl]amino]piperidin-1-yl]ethanone (PubChem CID 43746005) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is 1-[4-[[3-(3-bromophenyl)cyclobutyl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[3-(3-bromophenyl)cyclobutyl]amino]piperidin-1-yl]ethanone
PubChem CID43746005
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC Name1-[4-[[3-(3-bromophenyl)cyclobutyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2CC(c3cccc(Br)c3)C2)CC1
InChIInChI=1S/C17H23BrN2O/c1-12(21)20-7-5-16(6-8-20)19-17-10-14(11-17)13-3-2-4-15(18)9-13/h2-4,9,14,16-17,19H,5-8,10-11H2,1H3
InChIKeyBSKLVDOWCOAYGS-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-[[3-(3-bromophenyl)cyclobutyl]amino]piperidin-1-yl]ethanone 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-[4-[(3-phenylcyclobutyl)amino]piperidin-1-yl]ethanone
CID 43745998
N-[3-(3-bromophenyl)cyclobutyl]-1-propylpiperidin-4-amine
CID 43634693
1-[4-[1-(3-bromophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43426728
N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634641
N-[3-(3-bromophenyl)cyclobutyl]oxolan-3-amine
CID 80717711
2-[[3-[[3-(3-bromophenyl)cyclobutyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122042438
3-(3-bromophenyl)-N-(3-ethoxycyclobutyl)cyclobutan-1-amine
CID 106704309
2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide
CID 115355958
3-[[3-(3-bromophenyl)cyclobutyl]amino]propanoic acid
CID 43635224
1-ethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-4-amine
CID 61039134
3-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 83177483
3-[[3-(3-bromophenyl)cyclobutyl]amino]-2,2-dimethylpropanamide
CID 106704288

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(3-bromophenyl)cyclobutyl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[3-(3-bromophenyl)cyclobutyl]amino]piperidin-1-yl]ethanone (CID 43746005) is 1-[4-[[3-(3-bromophenyl)cyclobutyl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[3-(3-bromophenyl)cyclobutyl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[3-(3-bromophenyl)cyclobutyl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC2CC(c3cccc(Br)c3)C2)CC1.
What is the InChIKey of 1-[4-[[3-(3-bromophenyl)cyclobutyl]amino]piperidin-1-yl]ethanone?
The InChIKey is BSKLVDOWCOAYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-12(21)20-7-5-16(6-8-20)19-17-10-14(11-17)13-3-2-4-15(18)9-13/h2-4,9,14,16-17,19H,5-8,10-11H2,1H3.
What are the key properties of 1-[4-[[3-(3-bromophenyl)cyclobutyl]amino]piperidin-1-yl]ethanone?
1-[4-[[3-(3-bromophenyl)cyclobutyl]amino]piperidin-1-yl]ethanone has a molecular weight of 351.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(3-bromophenyl)cyclobutyl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 43746005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).