(2S)-N-(2-cyanophenyl)-N-methylpiperidine-2-carboxamide

C14H17N3O — CID 104914313

IUPAC(2S)-N-(2-cyanophenyl)-N-methylpiperidine-2-carboxamide
SMILESCN(C(=O)[C@@H]1CCCCN1)c1ccccc1C#N
InChIInChI=1S/C14H17N3O/c1-17(13-8-3-2-6-11(13)10-15)14(18)12-7-4-5-9-16-12/h2-3,6,8,12,16H,4-5,7,9H2,1H3/t12-/m0/s1
InChIKeyLSOWEQQSKVSWJC-LBPRGKRZSA-N
MW243.31 g/mol
LogP1.66
Rot. Bonds2

About (2S)-N-(2-cyanophenyl)-N-methylpiperidine-2-carboxamide

(2S)-N-(2-cyanophenyl)-N-methylpiperidine-2-carboxamide (PubChem CID 104914313) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S)-N-(2-cyanophenyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-cyanophenyl)-N-methylpiperidine-2-carboxamide
PubChem CID104914313
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(2S)-N-(2-cyanophenyl)-N-methylpiperidine-2-carboxamide
SMILESCN(C(=O)[C@@H]1CCCCN1)c1ccccc1C#N
InChIInChI=1S/C14H17N3O/c1-17(13-8-3-2-6-11(13)10-15)14(18)12-7-4-5-9-16-12/h2-3,6,8,12,16H,4-5,7,9H2,1H3/t12-/m0/s1
InChIKeyLSOWEQQSKVSWJC-LBPRGKRZSA-N
XLogP1.66
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2-cyanophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 104913445
N-(1H-indol-3-yl)-N-methylpiperidine-2-carboxamide
CID 115159733
N-methyl-N-phenylpyrrolidine-2-carboxamide
CID 550989
N-methyl-N-(2,4,5-trimethylphenyl)piperidine-2-carboxamide
CID 115159736
(2S)-N-methyl-N-(4-methylphenyl)piperidine-2-carboxamide
CID 113266153
(2S)-N-(4-fluorophenyl)-N-methylpiperidine-2-carboxamide
CID 103809324
2-[(2-cyanophenyl)-methylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391197
(2R)-N-(3-fluorophenyl)-N-methylpiperidine-2-carboxamide
CID 103808642
N-[(3-cyanophenyl)methyl]-N-methylazepane-2-carboxamide
CID 64561888
(2R)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide
CID 59628577
(2S)-N,N-bis(2-methylphenyl)pyrrolidine-2-carboxamide
CID 59628597
N-(5-chlorothiophen-2-yl)-N-methylpiperidine-2-carboxamide
CID 115159724

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyanophenyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-cyanophenyl)-N-methylpiperidine-2-carboxamide (CID 104914313) is (2S)-N-(2-cyanophenyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-cyanophenyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-cyanophenyl)-N-methylpiperidine-2-carboxamide is CN(C(=O)[C@@H]1CCCCN1)c1ccccc1C#N.
What is the InChIKey of (2S)-N-(2-cyanophenyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is LSOWEQQSKVSWJC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17(13-8-3-2-6-11(13)10-15)14(18)12-7-4-5-9-16-12/h2-3,6,8,12,16H,4-5,7,9H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-N-(2-cyanophenyl)-N-methylpiperidine-2-carboxamide?
(2S)-N-(2-cyanophenyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyanophenyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 104914313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).