1-[cyano-(2-methoxyphenyl)methyl]piperidine-4-carboxamide

C15H19N3O2 — CID 84817751

IUPAC1-[cyano-(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccccc1C(C#N)N1CCC(C(N)=O)CC1
InChIInChI=1S/C15H19N3O2/c1-20-14-5-3-2-4-12(14)13(10-16)18-8-6-11(7-9-18)15(17)19/h2-5,11,13H,6-9H2,1H3,(H2,17,19)
InChIKeyOCAKJONLSXPREZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.46
Rot. Bonds4

About 1-[cyano-(2-methoxyphenyl)methyl]piperidine-4-carboxamide

1-[cyano-(2-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 84817751) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[cyano-(2-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[cyano-(2-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID84817751
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[cyano-(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccccc1C(C#N)N1CCC(C(N)=O)CC1
InChIInChI=1S/C15H19N3O2/c1-20-14-5-3-2-4-12(14)13(10-16)18-8-6-11(7-9-18)15(17)19/h2-5,11,13H,6-9H2,1H3,(H2,17,19)
InChIKeyOCAKJONLSXPREZ-UHFFFAOYSA-N
XLogP1.46
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[cyano-(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 84817743
2-(2-methoxyphenyl)-2-(3-methylpiperidin-1-yl)acetonitrile
CID 84756823
2-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)acetonitrile
CID 82020175
ethyl 1-[cyano-(2-fluorophenyl)methyl]piperidine-4-carboxylate
CID 84756740
1-[(R)-(1-cyclohexyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 1443142
1-[(3,4-dimethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4283453
2-cyano-2-(2-methoxyphenyl)acetamide
CID 16762344
1-[(Z)-2-cyano-3-(2-methoxyanilino)-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 108821177
1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890915
1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3884860
1-(2-cyano-2-phenylethyl)piperidine-4-carboxamide
CID 64535939
1-[(2R)-2-(2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxamide
CID 39730033

Frequently Asked Questions

What is the IUPAC name of 1-[cyano-(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[cyano-(2-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 84817751) is 1-[cyano-(2-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[cyano-(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[cyano-(2-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccccc1C(C#N)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[cyano-(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is OCAKJONLSXPREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-14-5-3-2-4-12(14)13(10-16)18-8-6-11(7-9-18)15(17)19/h2-5,11,13H,6-9H2,1H3,(H2,17,19).
What are the key properties of 1-[cyano-(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-[cyano-(2-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyano-(2-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 84817751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).