(2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide

C17H27N3O — CID 33481434

IUPAC(2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide
SMILESCC1CCN(CCCN[C@H](C(N)=O)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-14-8-12-20(13-9-14)11-5-10-19-16(17(18)21)15-6-3-2-4-7-15/h2-4,6-7,14,16,19H,5,8-13H2,1H3,(H2,18,21)/t16-/m0/s1
InChIKeyMAWJUTSZKDCCCO-INIZCTEOSA-N
MW289.42 g/mol
LogP1.92
Rot. Bonds7

About (2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide

(2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide (PubChem CID 33481434) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide
PubChem CID33481434
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide
SMILESCC1CCN(CCCN[C@H](C(N)=O)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-14-8-12-20(13-9-14)11-5-10-19-16(17(18)21)15-6-3-2-4-7-15/h2-4,6-7,14,16,19H,5,8-13H2,1H3,(H2,18,21)/t16-/m0/s1
InChIKeyMAWJUTSZKDCCCO-INIZCTEOSA-N
XLogP1.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.92
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

3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119952808
N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine
CID 43104102
2-(butylamino)-2-phenylacetamide
CID 14569005
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 61241817
2-[3-(4-methylpiperidin-1-yl)propylamino]butanoic acid
CID 113292330
2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 61241452
2-[1-[3-(4-methylpiperidin-1-yl)propylamino]propyl]phenol
CID 43205645
3-(4-methylpiperidin-1-yl)-N-propan-2-ylpropan-1-amine
CID 28679951
N-[4-(4-methylpiperidin-1-yl)butyl]-2-phenylsulfanylpropanamide
CID 86990920
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine
CID 111388216
2-[2-[1-[9-(1-hydroxypropan-2-ylamino)nonyl]piperidin-4-yl]phenyl]-2-phenylacetamide
CID 141228600
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine
CID 28525953

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide (CID 33481434) is (2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide is CC1CCN(CCCN[C@H](C(N)=O)c2ccccc2)CC1.
What is the InChIKey of (2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide?
The InChIKey is MAWJUTSZKDCCCO-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-8-12-20(13-9-14)11-5-10-19-16(17(18)21)15-6-3-2-4-7-15/h2-4,6-7,14,16,19H,5,8-13H2,1H3,(H2,18,21)/t16-/m0/s1.
What are the key properties of (2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide?
(2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide has a molecular weight of 289.42 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(4-methylpiperidin-1-yl)propylamino]-2-phenylacetamide is sourced from PubChem (CID 33481434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).