(3S)-3-cyano-N-(2-ethoxyphenyl)piperidine-1-carboxamide

C15H19N3O2 — CID 97436786

IUPAC(3S)-3-cyano-N-(2-ethoxyphenyl)piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC[C@H](C#N)C1
InChIInChI=1S/C15H19N3O2/c1-2-20-14-8-4-3-7-13(14)17-15(19)18-9-5-6-12(10-16)11-18/h3-4,7-8,12H,2,5-6,9,11H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyGMRAJJUXZXAARU-GFCCVEGCSA-N
MW273.34 g/mol
LogP2.85
Rot. Bonds3

About (3S)-3-cyano-N-(2-ethoxyphenyl)piperidine-1-carboxamide

(3S)-3-cyano-N-(2-ethoxyphenyl)piperidine-1-carboxamide (PubChem CID 97436786) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (3S)-3-cyano-N-(2-ethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-cyano-N-(2-ethoxyphenyl)piperidine-1-carboxamide
PubChem CID97436786
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(3S)-3-cyano-N-(2-ethoxyphenyl)piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC[C@H](C#N)C1
InChIInChI=1S/C15H19N3O2/c1-2-20-14-8-4-3-7-13(14)17-15(19)18-9-5-6-12(10-16)11-18/h3-4,7-8,12H,2,5-6,9,11H2,1H3,(H,17,19)/t12-/m1/s1
InChIKeyGMRAJJUXZXAARU-GFCCVEGCSA-N
XLogP2.85
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4aS,8aS)-N-(2-ethoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944761
N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 90584758
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide
CID 118791173
(3R)-3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide
CID 125179829
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
N-[2-(cyclopropylmethoxy)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111453701
1-(2,2-dimethylpropanoyl)-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 47987033
N-(2-ethoxyphenyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109150085
N-(2-ethoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108989544
(3S)-1-N-benzyl-3-N-(2-ethoxyphenyl)piperidine-1,3-dicarboxamide
CID 7435314
N-(2-ethoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 6468578

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyano-N-(2-ethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-cyano-N-(2-ethoxyphenyl)piperidine-1-carboxamide (CID 97436786) is (3S)-3-cyano-N-(2-ethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-cyano-N-(2-ethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-cyano-N-(2-ethoxyphenyl)piperidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCC[C@H](C#N)C1.
What is the InChIKey of (3S)-3-cyano-N-(2-ethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is GMRAJJUXZXAARU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-20-14-8-4-3-7-13(14)17-15(19)18-9-5-6-12(10-16)11-18/h3-4,7-8,12H,2,5-6,9,11H2,1H3,(H,17,19)/t12-/m1/s1.
What are the key properties of (3S)-3-cyano-N-(2-ethoxyphenyl)piperidine-1-carboxamide?
(3S)-3-cyano-N-(2-ethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyano-N-(2-ethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 97436786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).