(2S)-2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide

C17H27N3O — CID 107569286

IUPAC(2S)-2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-4-16(18)17(21)19-14-5-7-15(8-6-14)20-11-9-13(2)10-12-20/h5-8,13,16H,3-4,9-12,18H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyJMVOJLBSGGDIDW-INIZCTEOSA-N
MW289.42 g/mol
LogP2.99
Rot. Bonds5

About (2S)-2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide

(2S)-2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide (PubChem CID 107569286) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
PubChem CID107569286
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2S)-2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-4-16(18)17(21)19-14-5-7-15(8-6-14)20-11-9-13(2)10-12-20/h5-8,13,16H,3-4,9-12,18H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyJMVOJLBSGGDIDW-INIZCTEOSA-N
XLogP2.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-pyrrolidin-1-ylphenyl)pentanamide
CID 43713003
2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 60719278
2-(aminomethyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide
CID 65228931
(2S)-2-amino-N-[4-(azepan-1-yl)phenyl]butanamide
CID 79022944
(2R)-2-amino-N-[4-(triazol-2-yl)phenyl]pentanamide
CID 103795568
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
N-[4-(4-methylpiperidin-1-yl)phenyl]-2,2-diphenylacetamide
CID 19629747
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
CID 60672154
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 107569254
N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide
CID 108986432
(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
(2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide
CID 107568598

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide (CID 107569286) is (2S)-2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide is CCC[C@H](N)C(=O)Nc1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide?
The InChIKey is JMVOJLBSGGDIDW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-4-16(18)17(21)19-14-5-7-15(8-6-14)20-11-9-13(2)10-12-20/h5-8,13,16H,3-4,9-12,18H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide?
(2S)-2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide has a molecular weight of 289.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide is sourced from PubChem (CID 107569286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).