N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide

C15H23N3O — CID 16779613

IUPACN-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
SMILESCC1CCCCN1CCC(=O)Nc1ccccc1N
InChIInChI=1S/C15H23N3O/c1-12-6-4-5-10-18(12)11-9-15(19)17-14-8-3-2-7-13(14)16/h2-3,7-8,12H,4-6,9-11,16H2,1H3,(H,17,19)
InChIKeyBIVRWZSOLCOMTR-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.47
Rot. Bonds4

About N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide

N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide (PubChem CID 16779613) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
PubChem CID16779613
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
SMILESCC1CCCCN1CCC(=O)Nc1ccccc1N
InChIInChI=1S/C15H23N3O/c1-12-6-4-5-10-18(12)11-9-15(19)17-14-8-3-2-7-13(14)16/h2-3,7-8,12H,4-6,9-11,16H2,1H3,(H,17,19)
InChIKeyBIVRWZSOLCOMTR-UHFFFAOYSA-N
XLogP2.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.47
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

N-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 43106577
N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 43176776
N-(2-amino-5-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882013
N-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide
CID 43541694
N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16778633
N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778789
N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54881990
N-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583353
N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 16793627
3-(2-methylpiperidin-1-yl)propanehydrazide
CID 60676133
1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 16788588
N-(2-aminophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide
CID 81193569

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide (CID 16779613) is N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide is CC1CCCCN1CCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide?
The InChIKey is BIVRWZSOLCOMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-6-4-5-10-18(12)11-9-15(19)17-14-8-3-2-7-13(14)16/h2-3,7-8,12H,4-6,9-11,16H2,1H3,(H,17,19).
What are the key properties of N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide?
N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide has a molecular weight of 261.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 16779613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).