2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide

C17H27N3O — CID 119850923

IUPAC2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
SMILESCC1CCCCN1CCNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C17H27N3O/c1-14-7-5-6-11-20(14)12-10-19-17(21)16(18)13-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13,18H2,1H3,(H,19,21)
InChIKeyABWWPWYYGWNMJN-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.55
Rot. Bonds6

About 2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide

2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide (PubChem CID 119850923) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
PubChem CID119850923
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
SMILESCC1CCCCN1CCNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C17H27N3O/c1-14-7-5-6-11-20(14)12-10-19-17(21)16(18)13-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13,18H2,1H3,(H,19,21)
InChIKeyABWWPWYYGWNMJN-UHFFFAOYSA-N
XLogP1.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
CID 78984703
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylmethoxypropanamide
CID 47035903
(2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide
CID 104897103
(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
CID 61178134
(2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride
CID 119289813
2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 103630194
N-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propyl]cyclobutanecarboxamide
CID 119338181
2-amino-4-methyl-N-[1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]pentanamide
CID 70061011
2-amino-N-(3-cyclopropylpropyl)-3-phenylpropanamide
CID 113264265
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide (CID 119850923) is 2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide is CC1CCCCN1CCNC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide?
The InChIKey is ABWWPWYYGWNMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-7-5-6-11-20(14)12-10-19-17(21)16(18)13-15-8-3-2-4-9-15/h2-4,8-9,14,16H,5-7,10-13,18H2,1H3,(H,19,21).
What are the key properties of 2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide?
2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 119850923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).