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

C15H23N3O — CID 60719278

IUPAC2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
SMILESCC1CCN(c2ccc(NC(=O)C(C)N)cc2)CC1
InChIInChI=1S/C15H23N3O/c1-11-7-9-18(10-8-11)14-5-3-13(4-6-14)17-15(19)12(2)16/h3-6,11-12H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyXWNUTJORYPQYBW-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.21
Rot. Bonds3

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

2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide (PubChem CID 60719278) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
PubChem CID60719278
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
SMILESCC1CCN(c2ccc(NC(=O)C(C)N)cc2)CC1
InChIInChI=1S/C15H23N3O/c1-11-7-9-18(10-8-11)14-5-3-13(4-6-14)17-15(19)12(2)16/h3-6,11-12H,7-10,16H2,1-2H3,(H,17,19)
InChIKeyXWNUTJORYPQYBW-UHFFFAOYSA-N
XLogP2.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.21
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

(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide
CID 54996178
(2S)-2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
CID 107569286
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
2-(aminomethyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide
CID 65228931
(2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119301656
N-[4-(4-methylpiperidin-1-yl)phenyl]-2,2-diphenylacetamide
CID 19629747
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
methyl 3-methyl-2-[[4-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]butanoate
CID 4908591
N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 108987878
N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
CID 108987931
N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987256
(2R)-2-amino-N-[4-(azepan-1-yl)phenyl]-3-methylbutanamide
CID 79011906

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
The IUPAC name of 2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide (CID 60719278) is 2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
The canonical SMILES for 2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide is CC1CCN(c2ccc(NC(=O)C(C)N)cc2)CC1.
What is the InChIKey of 2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
The InChIKey is XWNUTJORYPQYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-7-9-18(10-8-11)14-5-3-13(4-6-14)17-15(19)12(2)16/h3-6,11-12H,7-10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide?
2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide has a molecular weight of 261.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 60719278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).