(2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide

C17H27N3O — CID 78984703

IUPAC(2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
SMILESCC1CCN(CCNC(=O)[C@H](N)Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-14-7-10-20(11-8-14)12-9-19-17(21)16(18)13-15-5-3-2-4-6-15/h2-6,14,16H,7-13,18H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyNPDKSNASYDNABM-MRXNPFEDSA-N
MW289.42 g/mol
LogP1.40
Rot. Bonds6

About (2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide

(2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide (PubChem CID 78984703) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
PubChem CID78984703
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
SMILESCC1CCN(CCNC(=O)[C@H](N)Cc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-14-7-10-20(11-8-14)12-9-19-17(21)16(18)13-15-5-3-2-4-6-15/h2-6,14,16H,7-13,18H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyNPDKSNASYDNABM-MRXNPFEDSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
CID 119850923
2-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119845072
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 61241817
2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119885023
2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 61241452
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
2-amino-3-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 76893887
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61241466
2-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-phenylpropanamide
CID 119861342
2-amino-3-(4-hydroxyphenyl)-N-(2-piperidin-1-ylethyl)propanamide
CID 76905886
2-amino-N-(1-ethylpiperidin-4-yl)-3-phenylpropanamide
CID 61039141
2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 103630194

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide (CID 78984703) is (2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide is CC1CCN(CCNC(=O)[C@H](N)Cc2ccccc2)CC1.
What is the InChIKey of (2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide?
The InChIKey is NPDKSNASYDNABM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-7-10-20(11-8-14)12-9-19-17(21)16(18)13-15-5-3-2-4-6-15/h2-6,14,16H,7-13,18H2,1H3,(H,19,21)/t16-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide?
(2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 78984703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).