2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide

C16H25N3O — CID 66565211

IUPAC2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide
SMILESCCN(C(=O)CN)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-2-19(16(20)11-17)15-9-6-10-18(13-15)12-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13,17H2,1H3/t15-/m0/s1
InChIKeyCBZPZNLXYFLTGC-HNNXBMFYSA-N
MW275.40 g/mol
LogP1.46
Rot. Bonds5

About 2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide

2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide (PubChem CID 66565211) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide
PubChem CID66565211
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide
SMILESCCN(C(=O)CN)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-2-19(16(20)11-17)15-9-6-10-18(13-15)12-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13,17H2,1H3/t15-/m0/s1
InChIKeyCBZPZNLXYFLTGC-HNNXBMFYSA-N
XLogP1.46
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-cyclopropylacetamide
CID 66565237
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylpropanamide
CID 119857622
N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine
CID 66565091
N-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide
CID 66565177
benzyl N-[1-(2-aminoethyl)piperidin-3-yl]-N-ethylcarbamate
CID 66566566
3-amino-N-(1-benzylpiperidin-3-yl)-N-propylcyclopentane-1-carboxamide
CID 119857600
N-[(3R)-1-benzylpiperidin-3-yl]-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
CID 95284465
2-[(1-benzylpiperidin-3-yl)-ethylamino]ethanol
CID 66565042
2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide
CID 66565227
(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide
CID 66563977
1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-(2-phenylethyl)urea
CID 53234561
tert-butyl N-(1-benzylpiperidin-3-yl)-N-tert-butylcarbamate
CID 140627422

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide?
The IUPAC name of 2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide (CID 66565211) is 2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide.
What is the SMILES notation for 2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide?
The canonical SMILES for 2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide is CCN(C(=O)CN)[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide?
The InChIKey is CBZPZNLXYFLTGC-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-19(16(20)11-17)15-9-6-10-18(13-15)12-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13,17H2,1H3/t15-/m0/s1.
What are the key properties of 2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide?
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide has a molecular weight of 275.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide is sourced from PubChem (CID 66565211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).