N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride

C14H23Cl2N3O — CID 119958462

IUPACN-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride
SMILESCN(CCc1ccncc1)C(=O)C1CCCCN1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-17(11-7-12-5-9-15-10-6-12)14(18)13-4-2-3-8-16-13;;/h5-6,9-10,13,16H,2-4,7-8,11H2,1H3;2*1H
InChIKeyHFMZIHCEUJEREO-UHFFFAOYSA-N
MW320.26 g/mol
LogP2.07
Rot. Bonds4

About N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride

N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride (PubChem CID 119958462) has the molecular formula C14H23Cl2N3O and a molecular weight of 320.26 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride
PubChem CID119958462
Molecular FormulaC14H23Cl2N3O
Molecular Weight320.26 g/mol
Exact Mass319.12
IUPAC NameN-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride
SMILESCN(CCc1ccncc1)C(=O)C1CCCCN1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-17(11-7-12-5-9-15-10-6-12)14(18)13-4-2-3-8-16-13;;/h5-6,9-10,13,16H,2-4,7-8,11H2,1H3;2*1H
InChIKeyHFMZIHCEUJEREO-UHFFFAOYSA-N
XLogP2.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 93375227
4-hydroxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide
CID 54943679
N-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride
CID 119958234
N-cyclopropyl-N-(pyridin-4-ylmethyl)azepane-2-carboxamide
CID 64562460
(2R)-N-methyl-N-propylpiperidine-2-carboxamide
CID 93272806
N-methyl-N-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 72671555
(2S)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119681881
N-methyl-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide
CID 75261208
(2S)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119682587
(2R)-N-ethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 93375226
N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
CID 110690019
(2R)-N-methyl-N-(2-methylsulfonylethyl)piperidine-2-carboxamide;hydrochloride
CID 119725318

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride (CID 119958462) is N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride is CN(CCc1ccncc1)C(=O)C1CCCCN1.Cl.Cl.
What is the InChIKey of N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride?
The InChIKey is HFMZIHCEUJEREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.2ClH/c1-17(11-7-12-5-9-15-10-6-12)14(18)13-4-2-3-8-16-13;;/h5-6,9-10,13,16H,2-4,7-8,11H2,1H3;2*1H.
What are the key properties of N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride?
N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride has a molecular weight of 320.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119958462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).