1-[3-(2-aminophenyl)propanoyl]-N-methylpiperidine-3-carboxamide

C16H23N3O2 — CID 103197591

IUPAC1-[3-(2-aminophenyl)propanoyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)CCc2ccccc2N)C1
InChIInChI=1S/C16H23N3O2/c1-18-16(21)13-6-4-10-19(11-13)15(20)9-8-12-5-2-3-7-14(12)17/h2-3,5,7,13H,4,6,8-11,17H2,1H3,(H,18,21)
InChIKeyCSJVGBJZALKVCJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.19
Rot. Bonds4

About 1-[3-(2-aminophenyl)propanoyl]-N-methylpiperidine-3-carboxamide

1-[3-(2-aminophenyl)propanoyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103197591) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[3-(2-aminophenyl)propanoyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(2-aminophenyl)propanoyl]-N-methylpiperidine-3-carboxamide
PubChem CID103197591
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[3-(2-aminophenyl)propanoyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)CCc2ccccc2N)C1
InChIInChI=1S/C16H23N3O2/c1-18-16(21)13-6-4-10-19(11-13)15(20)9-8-12-5-2-3-7-14(12)17/h2-3,5,7,13H,4,6,8-11,17H2,1H3,(H,18,21)
InChIKeyCSJVGBJZALKVCJ-UHFFFAOYSA-N
XLogP1.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967020
1-[3-(2-aminophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 120609404
3-(2-aminophenyl)-1-(4-methylazepan-1-yl)propan-1-one
CID 63625999
3-(2-aminophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 120609365
3-(2-aminophenyl)-1-(3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120611447
3-(2-aminophenyl)-1-[3-(2-methylpropyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 120611457
1-(2-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194310
3-(2-aminophenyl)-1-(4-tert-butylazepan-1-yl)propan-1-one
CID 120610844
3-(2-aminophenyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62969229
3-(2-aminophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 114799225
3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488394
3-[1-[3-(2-aminophenyl)propanoyl]pyrrolidin-3-yl]propanoic acid
CID 107273313

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminophenyl)propanoyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-(2-aminophenyl)propanoyl]-N-methylpiperidine-3-carboxamide (CID 103197591) is 1-[3-(2-aminophenyl)propanoyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(2-aminophenyl)propanoyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-(2-aminophenyl)propanoyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)CCc2ccccc2N)C1.
What is the InChIKey of 1-[3-(2-aminophenyl)propanoyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is CSJVGBJZALKVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18-16(21)13-6-4-10-19(11-13)15(20)9-8-12-5-2-3-7-14(12)17/h2-3,5,7,13H,4,6,8-11,17H2,1H3,(H,18,21).
What are the key properties of 1-[3-(2-aminophenyl)propanoyl]-N-methylpiperidine-3-carboxamide?
1-[3-(2-aminophenyl)propanoyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminophenyl)propanoyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103197591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).