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

C17H27N3O — CID 96553026

IUPAC2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethylacetamide
SMILESCCN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)CN
InChIInChI=1S/C17H27N3O/c1-2-19(17(21)12-18)14-16-10-6-7-11-20(16)13-15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14,18H2,1H3/t16-/m0/s1
InChIKeyFGPBFSWYEDBUFL-INIZCTEOSA-N
MW289.42 g/mol
LogP1.85
Rot. Bonds6

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

2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethylacetamide (PubChem CID 96553026) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethylacetamide
PubChem CID96553026
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethylacetamide
SMILESCCN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)CN
InChIInChI=1S/C17H27N3O/c1-2-19(17(21)12-18)14-16-10-6-7-11-20(16)13-15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14,18H2,1H3/t16-/m0/s1
InChIKeyFGPBFSWYEDBUFL-INIZCTEOSA-N
XLogP1.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

2-amino-N-[(1-benzylpiperidin-2-yl)methyl]-N-ethylpropanamide
CID 77143825
(2S)-2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethyl-3-methylbutanamide
CID 96553087
(2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide
CID 66565271
2-[[(2S)-1-benzylpyrrolidin-2-yl]methyl-ethylamino]acetic acid
CID 66564991
N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine
CID 96552846
2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-propan-2-ylpropanamide
CID 121226081
tert-butyl N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 22856184
N-[(1-benzylpyrrolidin-2-yl)methyl]-N-methylcarbamoyl chloride
CID 82379734
benzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate
CID 66566494
N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-propan-2-ylethane-1,2-diamine
CID 96552855
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-2-chloro-N-propan-2-ylacetamide
CID 96552886

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethylacetamide?
The IUPAC name of 2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethylacetamide (CID 96553026) is 2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethylacetamide.
What is the SMILES notation for 2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethylacetamide?
The canonical SMILES for 2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethylacetamide is CCN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)CN.
What is the InChIKey of 2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethylacetamide?
The InChIKey is FGPBFSWYEDBUFL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-19(17(21)12-18)14-16-10-6-7-11-20(16)13-15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14,18H2,1H3/t16-/m0/s1.
What are the key properties of 2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethylacetamide?
2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethylacetamide has a molecular weight of 289.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-N-ethylacetamide is sourced from PubChem (CID 96553026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).