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

C15H23N3O — CID 66567107

IUPAC2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
SMILESCN(Cc1ccccc1)[C@@H]1CCCN(C(=O)CN)C1
InChIInChI=1S/C15H23N3O/c1-17(11-13-6-3-2-4-7-13)14-8-5-9-18(12-14)15(19)10-16/h2-4,6-7,14H,5,8-12,16H2,1H3/t14-/m1/s1
InChIKeyBNOOOCKULLHMKA-CQSZACIVSA-N
MW261.37 g/mol
LogP1.07
Rot. Bonds4

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

2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone (PubChem CID 66567107) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
PubChem CID66567107
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
SMILESCN(Cc1ccccc1)[C@@H]1CCCN(C(=O)CN)C1
InChIInChI=1S/C15H23N3O/c1-17(11-13-6-3-2-4-7-13)14-8-5-9-18(12-14)15(19)10-16/h2-4,6-7,14H,5,8-12,16H2,1H3/t14-/m1/s1
InChIKeyBNOOOCKULLHMKA-CQSZACIVSA-N
XLogP1.07
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[(3R)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanone
CID 66567137
1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]-2-propan-2-ylsulfanylethanone
CID 95716799
1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]but-2-yn-1-one
CID 42508292
2-(1,3-benzodioxol-5-yl)-1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
CID 42300271
1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 25450628
1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 25293575
[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 45204558
2-[2-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 42193362
1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-methylsulfanylethanone
CID 45175382
[3-[benzyl(methyl)amino]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 45206682
1-[3-[benzyl(methyl)amino]piperidin-1-yl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethanone
CID 45244535
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone (CID 66567107) is 2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone is CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)CN)C1.
What is the InChIKey of 2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone?
The InChIKey is BNOOOCKULLHMKA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17(11-13-6-3-2-4-7-13)14-8-5-9-18(12-14)15(19)10-16/h2-4,6-7,14H,5,8-12,16H2,1H3/t14-/m1/s1.
What are the key properties of 2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone?
2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone has a molecular weight of 261.37 g/mol, XLogP of 1.07, 4 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(methyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 66567107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).