1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide

C15H23N3O — CID 54985708

IUPAC1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1cccc(N)c1C
InChIInChI=1S/C15H23N3O/c1-11-12(6-5-7-13(11)16)10-18-9-4-3-8-14(18)15(19)17-2/h5-7,14H,3-4,8-10,16H2,1-2H3,(H,17,19)
InChIKeyDERSQGBTFWGZQS-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.68
Rot. Bonds3

About 1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide

1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 54985708) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID54985708
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1cccc(N)c1C
InChIInChI=1S/C15H23N3O/c1-11-12(6-5-7-13(11)16)10-18-9-4-3-8-14(18)15(19)17-2/h5-7,14H,3-4,8-10,16H2,1-2H3,(H,17,19)
InChIKeyDERSQGBTFWGZQS-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
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

1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978861
1-[(3-fluoro-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 112616195
1-[(3-carbamothioyl-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 107115446
1-[(5-amino-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985657
1-[(5-amino-2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985656
1-[(2-amino-4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 64770558
1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]-N-methylpiperidine-2-carboxamide
CID 63585489
1-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103182204
1-[(6-amino-3-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide
CID 55046708
N-methyl-1-[(3-methylquinoxalin-2-yl)methyl]piperidine-2-carboxamide
CID 74236742
1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-2-carboxamide
CID 107105615
1-[(5-bromo-2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 115903842

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide (CID 54985708) is 1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1Cc1cccc(N)c1C.
What is the InChIKey of 1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is DERSQGBTFWGZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-12(6-5-7-13(11)16)10-18-9-4-3-8-14(18)15(19)17-2/h5-7,14H,3-4,8-10,16H2,1-2H3,(H,17,19).
What are the key properties of 1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide?
1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 54985708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).