(2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide

C14H21N3O — CID 93375227

IUPAC(2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C14H21N3O/c1-2-17(11-12-6-9-15-10-7-12)14(18)13-5-3-4-8-16-13/h6-7,9-10,13,16H,2-5,8,11H2,1H3/t13-/m0/s1
InChIKeyTYIQUJLDSWOXAP-ZDUSSCGKSA-N
MW247.34 g/mol
LogP1.57
Rot. Bonds4

About (2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide

(2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide (PubChem CID 93375227) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
PubChem CID93375227
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C14H21N3O/c1-2-17(11-12-6-9-15-10-7-12)14(18)13-5-3-4-8-16-13/h6-7,9-10,13,16H,2-5,8,11H2,1H3/t13-/m0/s1
InChIKeyTYIQUJLDSWOXAP-ZDUSSCGKSA-N
XLogP1.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-ethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 93375226
N-cyclopropyl-N-(pyridin-4-ylmethyl)azepane-2-carboxamide
CID 64562460
N-ethyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60738708
N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 54873767
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperidine-2-carboxamide
CID 103808191
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 119318530
N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119958462
N-[(2,6-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 119314243
N-benzyl-N-propylazepane-2-carboxamide
CID 64564177
(2S)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-2-carboxamide
CID 103808185
N-ethyl-N-(furan-2-ylmethyl)azepane-2-carboxamide
CID 64563044
(2R)-N,N-diethylpyrrolidine-2-carboxamide
CID 952316

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide (CID 93375227) is (2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide is CCN(Cc1ccncc1)C(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The InChIKey is TYIQUJLDSWOXAP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-17(11-12-6-9-15-10-7-12)14(18)13-5-3-4-8-16-13/h6-7,9-10,13,16H,2-5,8,11H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
(2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 93375227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).