(2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide

C15H23N3O — CID 104897742

IUPAC(2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
SMILESCN1CCCC(CNC(=O)[C@@H](N)c2ccccc2)C1
InChIInChI=1S/C15H23N3O/c1-18-9-5-6-12(11-18)10-17-15(19)14(16)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,16H2,1H3,(H,17,19)/t12?,14-/m0/s1
InChIKeyQAGSUUPLMVQMDP-PYMCNQPYSA-N
MW261.37 g/mol
LogP1.14
Rot. Bonds4

About (2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide

(2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide (PubChem CID 104897742) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
PubChem CID104897742
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
SMILESCN1CCCC(CNC(=O)[C@@H](N)c2ccccc2)C1
InChIInChI=1S/C15H23N3O/c1-18-9-5-6-12(11-18)10-17-15(19)14(16)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,16H2,1H3,(H,17,19)/t12?,14-/m0/s1
InChIKeyQAGSUUPLMVQMDP-PYMCNQPYSA-N
XLogP1.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide
CID 119866660
3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide
CID 62877335
(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 61180690
(2R)-2-amino-N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-phenylacetamide
CID 125147227
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 119855554
(2R)-2-amino-N-[(3-methylcyclohexyl)methyl]-2-phenylacetamide
CID 103795876
N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide
CID 124681917
2-amino-N-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide
CID 119860603
2-amino-N-(2-cyclopentylethyl)-2-phenylacetamide;hydrochloride
CID 119289820
2-amino-2-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120669772
2-amino-N-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]-2-phenylacetamide;dihydrochloride
CID 119898718
(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
CID 81350574

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide (CID 104897742) is (2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide is CN1CCCC(CNC(=O)[C@@H](N)c2ccccc2)C1.
What is the InChIKey of (2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide?
The InChIKey is QAGSUUPLMVQMDP-PYMCNQPYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18-9-5-6-12(11-18)10-17-15(19)14(16)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,16H2,1H3,(H,17,19)/t12?,14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide?
(2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide has a molecular weight of 261.37 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 104897742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).