3-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride

C18H25ClN4O — CID 86784301

IUPAC3-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccn(-c2ccccc2CNC(=O)C2(C)CCCNC2)n1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-14-8-11-22(21-14)16-7-4-3-6-15(16)12-20-17(23)18(2)9-5-10-19-13-18;/h3-4,6-8,11,19H,5,9-10,12-13H2,1-2H3,(H,20,23);1H
InChIKeyNTXBYSAGLPTUOP-UHFFFAOYSA-N
MW348.88 g/mol
LogP2.61
Rot. Bonds4

About 3-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride

3-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 86784301) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 3-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID86784301
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name3-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccn(-c2ccccc2CNC(=O)C2(C)CCCNC2)n1.Cl
InChIInChI=1S/C18H24N4O.ClH/c1-14-8-11-22(21-14)16-7-4-3-6-15(16)12-20-17(23)18(2)9-5-10-19-13-18;/h3-4,6-8,11,19H,5,9-10,12-13H2,1-2H3,(H,20,23);1H
InChIKeyNTXBYSAGLPTUOP-UHFFFAOYSA-N
XLogP2.61
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92864096
3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119944209
N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55176835
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63130668
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
(3R)-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidine-3-carboxamide
CID 95223621
3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119944291
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride
CID 119835459
N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63140593
N-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55236472
N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 113357142

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride (CID 86784301) is 3-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride is Cc1ccn(-c2ccccc2CNC(=O)C2(C)CCCNC2)n1.Cl.
What is the InChIKey of 3-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is NTXBYSAGLPTUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.ClH/c1-14-8-11-22(21-14)16-7-4-3-6-15(16)12-20-17(23)18(2)9-5-10-19-13-18;/h3-4,6-8,11,19H,5,9-10,12-13H2,1-2H3,(H,20,23);1H.
What are the key properties of 3-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
3-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 86784301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).