3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride

C14H23Cl2N3O — CID 119946421

IUPAC3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
SMILESCC1(C(=O)NCCc2cccnc2)CCCNC1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-14(6-3-8-16-11-14)13(18)17-9-5-12-4-2-7-15-10-12;;/h2,4,7,10,16H,3,5-6,8-9,11H2,1H3,(H,17,18);2*1H
InChIKeyIAUNAECWQJMOFZ-UHFFFAOYSA-N
MW320.26 g/mol
LogP1.97
Rot. Bonds4

About 3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride

3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride (PubChem CID 119946421) has the molecular formula C14H23Cl2N3O and a molecular weight of 320.26 g/mol. Its IUPAC name is 3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
PubChem CID119946421
Molecular FormulaC14H23Cl2N3O
Molecular Weight320.26 g/mol
Exact Mass319.12
IUPAC Name3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
SMILESCC1(C(=O)NCCc2cccnc2)CCCNC1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-14(6-3-8-16-11-14)13(18)17-9-5-12-4-2-7-15-10-12;;/h2,4,7,10,16H,3,5-6,8-9,11H2,1H3,(H,17,18);2*1H
InChIKeyIAUNAECWQJMOFZ-UHFFFAOYSA-N
XLogP1.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946078
3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 79749345
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119946915
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 78995084
3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide
CID 63133086
2-(3-methylazetidin-3-yl)oxy-N-(2-pyridin-3-ylethyl)acetamide
CID 102611828
3-methyl-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide
CID 106896221
N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119842424
4-methyl-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 55177553
N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 113357142
3-[2-(3-methylpiperidin-3-yl)oxyethyl]pyridine
CID 107385730

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of 3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride (CID 119946421) is 3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for 3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride is CC1(C(=O)NCCc2cccnc2)CCCNC1.Cl.Cl.
What is the InChIKey of 3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride?
The InChIKey is IAUNAECWQJMOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.2ClH/c1-14(6-3-8-16-11-14)13(18)17-9-5-12-4-2-7-15-10-12;;/h2,4,7,10,16H,3,5-6,8-9,11H2,1H3,(H,17,18);2*1H.
What are the key properties of 3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride?
3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride has a molecular weight of 320.26 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119946421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).