2-amino-1-[(3R)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanone

C17H27N3O — CID 66567137

IUPAC2-amino-1-[(3R)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanone
SMILESCC(C)N(Cc1ccccc1)[C@@H]1CCCN(C(=O)CN)C1
InChIInChI=1S/C17H27N3O/c1-14(2)20(12-15-7-4-3-5-8-15)16-9-6-10-19(13-16)17(21)11-18/h3-5,7-8,14,16H,6,9-13,18H2,1-2H3/t16-/m1/s1
InChIKeyQMJDPZMDTXDMJT-MRXNPFEDSA-N
MW289.42 g/mol
LogP1.85
Rot. Bonds5

About 2-amino-1-[(3R)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanone

2-amino-1-[(3R)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanone (PubChem CID 66567137) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-1-[(3R)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(3R)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanone
PubChem CID66567137
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-1-[(3R)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanone
SMILESCC(C)N(Cc1ccccc1)[C@@H]1CCCN(C(=O)CN)C1
InChIInChI=1S/C17H27N3O/c1-14(2)20(12-15-7-4-3-5-8-15)16-9-6-10-19(13-16)17(21)11-18/h3-5,7-8,14,16H,6,9-13,18H2,1-2H3/t16-/m1/s1
InChIKeyQMJDPZMDTXDMJT-MRXNPFEDSA-N
XLogP1.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-[(3R)-3-[benzyl(propan-2-yl)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

2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
CID 66567107
(2S)-2-amino-1-[(3S)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]-3-methylbutan-1-one
CID 66567241
2-amino-1-[(3S)-3-[benzyl(propan-2-yl)amino]pyrrolidin-1-yl]propan-1-one
CID 121226156
2-[(3S)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]acetic acid
CID 66567287
(2S)-2-amino-1-[3-[benzyl(propan-2-yl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 66567233
(3R)-1-(2-aminoethyl)-N-benzyl-N-propan-2-ylpiperidin-3-amine
CID 66567022
benzyl 3-[2-aminoethyl(propan-2-yl)amino]piperidine-1-carboxylate
CID 66564362
1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]-2-propan-2-ylsulfanylethanone
CID 95716799
benzyl (3R)-3-[2-hydroxyethyl(propan-2-yl)amino]piperidine-1-carboxylate
CID 66564317
N,1-dibenzyl-N-propan-2-ylpyrrolidin-3-amine
CID 163258237
N-[(3S)-1-(2-aminoacetyl)piperidin-3-yl]-N-propan-2-ylacetamide
CID 66567560
benzyl N-[[(3S)-1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96553985

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3R)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[(3R)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanone (CID 66567137) is 2-amino-1-[(3R)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(3R)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[(3R)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanone is CC(C)N(Cc1ccccc1)[C@@H]1CCCN(C(=O)CN)C1.
What is the InChIKey of 2-amino-1-[(3R)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is QMJDPZMDTXDMJT-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(2)20(12-15-7-4-3-5-8-15)16-9-6-10-19(13-16)17(21)11-18/h3-5,7-8,14,16H,6,9-13,18H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-amino-1-[(3R)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanone?
2-amino-1-[(3R)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 289.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3R)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 66567137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).