1-(3-amino-5-methylphenyl)-N-methylpiperidine-4-carboxamide

C14H21N3O — CID 112647193

IUPAC1-(3-amino-5-methylphenyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cc(C)cc(N)c2)CC1
InChIInChI=1S/C14H21N3O/c1-10-7-12(15)9-13(8-10)17-5-3-11(4-6-17)14(18)16-2/h7-9,11H,3-6,15H2,1-2H3,(H,16,18)
InChIKeyKGDPNGJSCDSIRR-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.54
Rot. Bonds2

About 1-(3-amino-5-methylphenyl)-N-methylpiperidine-4-carboxamide

1-(3-amino-5-methylphenyl)-N-methylpiperidine-4-carboxamide (PubChem CID 112647193) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(3-amino-5-methylphenyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-amino-5-methylphenyl)-N-methylpiperidine-4-carboxamide
PubChem CID112647193
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(3-amino-5-methylphenyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2cc(C)cc(N)c2)CC1
InChIInChI=1S/C14H21N3O/c1-10-7-12(15)9-13(8-10)17-5-3-11(4-6-17)14(18)16-2/h7-9,11H,3-6,15H2,1-2H3,(H,16,18)
InChIKeyKGDPNGJSCDSIRR-UHFFFAOYSA-N
XLogP1.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.54
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-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide
CID 117008153
3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 112647964
3-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 112647756
1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide
CID 61296551
1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide
CID 115366710
1-(4-aminophenyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 39446044
1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194412
N-methyl-1-(4-nitrophenyl)piperidine-4-carboxamide
CID 47131082
1-(2-amino-5-sulfamoylphenyl)-N-methylpiperidine-4-carboxamide
CID 82900064
1-(5-iodopyrimidin-2-yl)-N-methylpiperidine-4-carboxamide
CID 104839991
1-(2-amino-4-methylphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 43577792
1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 80960978

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-methylphenyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-amino-5-methylphenyl)-N-methylpiperidine-4-carboxamide (CID 112647193) is 1-(3-amino-5-methylphenyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-amino-5-methylphenyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-amino-5-methylphenyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2cc(C)cc(N)c2)CC1.
What is the InChIKey of 1-(3-amino-5-methylphenyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is KGDPNGJSCDSIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-7-12(15)9-13(8-10)17-5-3-11(4-6-17)14(18)16-2/h7-9,11H,3-6,15H2,1-2H3,(H,16,18).
What are the key properties of 1-(3-amino-5-methylphenyl)-N-methylpiperidine-4-carboxamide?
1-(3-amino-5-methylphenyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-methylphenyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 112647193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).