N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

C14H21N3O — CID 54873767

IUPACN-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)C1CCCNC1
InChIInChI=1S/C14H21N3O/c1-2-17(11-12-5-8-15-9-6-12)14(18)13-4-3-7-16-10-13/h5-6,8-9,13,16H,2-4,7,10-11H2,1H3
InChIKeyIPMOIGPODRGBMU-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.43
Rot. Bonds4

About N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 54873767) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID54873767
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)C1CCCNC1
InChIInChI=1S/C14H21N3O/c1-2-17(11-12-5-8-15-9-6-12)14(18)13-4-3-7-16-10-13/h5-6,8-9,13,16H,2-4,7,10-11H2,1H3
InChIKeyIPMOIGPODRGBMU-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
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,N-diethylpiperidine-3-carboxamide
CID 18793
(2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 93375227
N-ethyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119271520
N,N-dibenzylpiperidine-3-carboxamide;hydrochloride
CID 119261732
(3S)-N-benzyl-N-propylpiperidine-3-carboxamide
CID 81123216
N-benzyl-N-propylpiperidine-3-carboxamide
CID 43588657
(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 81126278
N-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide
CID 119743617
N-[(4-cyanophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 60945973
N-[2-(4-chlorophenyl)ethyl]-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 74241386
N-(2-amino-2-oxoethyl)-N-benzylpiperidine-3-carboxamide
CID 119323255

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (CID 54873767) is N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is CCN(Cc1ccncc1)C(=O)C1CCCNC1.
What is the InChIKey of N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is IPMOIGPODRGBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-17(11-12-5-8-15-9-6-12)14(18)13-4-3-7-16-10-13/h5-6,8-9,13,16H,2-4,7,10-11H2,1H3.
What are the key properties of N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 54873767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).