1-(4-amino-2-cyanophenyl)-N-methylpiperidine-2-carboxamide

C14H18N4O — CID 54985330

IUPAC1-(4-amino-2-cyanophenyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1ccc(N)cc1C#N
InChIInChI=1S/C14H18N4O/c1-17-14(19)13-4-2-3-7-18(13)12-6-5-11(16)8-10(12)9-15/h5-6,8,13H,2-4,7,16H2,1H3,(H,17,19)
InChIKeyVCIGEWRYGLLIMH-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.25
Rot. Bonds2

About 1-(4-amino-2-cyanophenyl)-N-methylpiperidine-2-carboxamide

1-(4-amino-2-cyanophenyl)-N-methylpiperidine-2-carboxamide (PubChem CID 54985330) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(4-amino-2-cyanophenyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-amino-2-cyanophenyl)-N-methylpiperidine-2-carboxamide
PubChem CID54985330
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(4-amino-2-cyanophenyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1ccc(N)cc1C#N
InChIInChI=1S/C14H18N4O/c1-17-14(19)13-4-2-3-7-18(13)12-6-5-11(16)8-10(12)9-15/h5-6,8,13H,2-4,7,16H2,1H3,(H,17,19)
InChIKeyVCIGEWRYGLLIMH-UHFFFAOYSA-N
XLogP1.25
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-2-cyanophenyl)piperidine-2-carboxamide
CID 54985357
1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide
CID 61296551
1-(4-amino-3-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 115499282
1-(5-chloro-2-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 63094081
1-(3-amino-4-cyano-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 82817618
1-(2-bromo-4-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 82797388
1-(2-cyano-4-methylphenyl)piperidine-2-carboxylic acid
CID 107926576
1-(2-bromo-4-cyanophenyl)-N-methylpyrrolidine-2-carboxamide
CID 82797077
1-(4-cyanopyridazin-3-yl)-N-methylpiperidine-2-carboxamide
CID 80510373
methyl 1-(2-cyano-4-methylphenyl)piperidine-2-carboxylate
CID 107927702
methyl 4-amino-3-[2-(methylcarbamoyl)piperidin-1-yl]benzoate
CID 82776524
5-amino-2-(2,3-dimethylpiperidin-1-yl)benzonitrile
CID 55040516

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-cyanophenyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(4-amino-2-cyanophenyl)-N-methylpiperidine-2-carboxamide (CID 54985330) is 1-(4-amino-2-cyanophenyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(4-amino-2-cyanophenyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(4-amino-2-cyanophenyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1ccc(N)cc1C#N.
What is the InChIKey of 1-(4-amino-2-cyanophenyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is VCIGEWRYGLLIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17-14(19)13-4-2-3-7-18(13)12-6-5-11(16)8-10(12)9-15/h5-6,8,13H,2-4,7,16H2,1H3,(H,17,19).
What are the key properties of 1-(4-amino-2-cyanophenyl)-N-methylpiperidine-2-carboxamide?
1-(4-amino-2-cyanophenyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-cyanophenyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 54985330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).