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

C17H27N3O — CID 104897103

IUPAC(2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide
SMILESCC1CCCCN1CCCNC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-14-8-5-6-12-20(14)13-7-11-19-17(21)16(18)15-9-3-2-4-10-15/h2-4,9-10,14,16H,5-8,11-13,18H2,1H3,(H,19,21)/t14?,16-/m0/s1
InChIKeyBRCNNQZJOQCSBM-WMCAAGNKSA-N
MW289.42 g/mol
LogP2.07
Rot. Bonds6

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

(2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide (PubChem CID 104897103) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide
PubChem CID104897103
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide
SMILESCC1CCCCN1CCCNC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-14-8-5-6-12-20(14)13-7-11-19-17(21)16(18)15-9-3-2-4-10-15/h2-4,9-10,14,16H,5-8,11-13,18H2,1H3,(H,19,21)/t14?,16-/m0/s1
InChIKeyBRCNNQZJOQCSBM-WMCAAGNKSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 120669404
2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115289585
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
2-amino-N-[2-(2-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
CID 119850923
4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid
CID 64894440
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide
CID 61148247
(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575
N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 85018800
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide;dihydrochloride
CID 119834632
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 61241817

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide (CID 104897103) is (2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide is CC1CCCCN1CCCNC(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide?
The InChIKey is BRCNNQZJOQCSBM-WMCAAGNKSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-8-5-6-12-20(14)13-7-11-19-17(21)16(18)15-9-3-2-4-10-15/h2-4,9-10,14,16H,5-8,11-13,18H2,1H3,(H,19,21)/t14?,16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide?
(2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide has a molecular weight of 289.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide is sourced from PubChem (CID 104897103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).