3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride

C12H19Cl2N3O — CID 119946059

IUPAC3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride
SMILESCC1(C(=O)Nc2ccncc2)CCCNC1.Cl.Cl
InChIInChI=1S/C12H17N3O.2ClH/c1-12(5-2-6-14-9-12)11(16)15-10-3-7-13-8-4-10;;/h3-4,7-8,14H,2,5-6,9H2,1H3,(H,13,15,16);2*1H
InChIKeyLDVSWSOBTACGIE-UHFFFAOYSA-N
MW292.21 g/mol
LogP2.25
Rot. Bonds2

About 3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride

3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride (PubChem CID 119946059) has the molecular formula C12H19Cl2N3O and a molecular weight of 292.21 g/mol. Its IUPAC name is 3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride
PubChem CID119946059
Molecular FormulaC12H19Cl2N3O
Molecular Weight292.21 g/mol
Exact Mass291.09
IUPAC Name3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride
SMILESCC1(C(=O)Nc2ccncc2)CCCNC1.Cl.Cl
InChIInChI=1S/C12H17N3O.2ClH/c1-12(5-2-6-14-9-12)11(16)15-10-3-7-13-8-4-10;;/h3-4,7-8,14H,2,5-6,9H2,1H3,(H,13,15,16);2*1H
InChIKeyLDVSWSOBTACGIE-UHFFFAOYSA-N
XLogP2.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521
3-methyl-N-[4-(triazol-2-yl)phenyl]piperidine-3-carboxamide
CID 63130247
N-(4-methoxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943571
3-methyl-N-[4-(methylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 63131065
N-[4-(hydroxymethyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 113397758
N-(3-acetylphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943623
3-methyl-N-(4-propylphenyl)piperidine-3-carboxamide
CID 63130315
3-methyl-N-(1H-pyrazol-4-yl)piperidine-3-carboxamide;hydrochloride
CID 119944674
3-methyl-N-(1,2-oxazol-3-yl)piperidine-3-carboxamide
CID 63133042
3-methyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119944238
3-methyl-N-thiophen-3-ylpiperidine-3-carboxamide
CID 66352634
N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
CID 63132655

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride?
The IUPAC name of 3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride (CID 119946059) is 3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for 3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride is CC1(C(=O)Nc2ccncc2)CCCNC1.Cl.Cl.
What is the InChIKey of 3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride?
The InChIKey is LDVSWSOBTACGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.2ClH/c1-12(5-2-6-14-9-12)11(16)15-10-3-7-13-8-4-10;;/h3-4,7-8,14H,2,5-6,9H2,1H3,(H,13,15,16);2*1H.
What are the key properties of 3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride?
3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride has a molecular weight of 292.21 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119946059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).