N,N-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide

C19H26N4O — CID 155878692

IUPACN,N-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
SMILESCc1ccc(CN2CCCC(C(=O)N(C)C)(n3cccn3)C2)cc1
InChIInChI=1S/C19H26N4O/c1-16-6-8-17(9-7-16)14-22-12-4-10-19(15-22,18(24)21(2)3)23-13-5-11-20-23/h5-9,11,13H,4,10,12,14-15H2,1-3H3
InChIKeyXYMCQGYVVBEIJI-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.27
Rot. Bonds4

About N,N-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide

N,N-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide (PubChem CID 155878692) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N,N-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
PubChem CID155878692
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN,N-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
SMILESCc1ccc(CN2CCCC(C(=O)N(C)C)(n3cccn3)C2)cc1
InChIInChI=1S/C19H26N4O/c1-16-6-8-17(9-7-16)14-22-12-4-10-19(15-22,18(24)21(2)3)23-13-5-11-20-23/h5-9,11,13H,4,10,12,14-15H2,1-3H3
InChIKeyXYMCQGYVVBEIJI-UHFFFAOYSA-N
XLogP2.27
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-pyrazol-1-yl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 155878997
1-[(2-chlorophenyl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155878950
N,N-dimethyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879948
1-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155878944
1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879248
N,N-dimethyl-1-prop-2-enoyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155880030
(3S)-N,N,3-trimethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 124989292
N,N-dimethyl-1-(2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155879570
N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155880024
1-(3,3-difluorocyclobutanecarbonyl)-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879589
(3R)-3-propyl-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 97115296
(3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 129484487

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide (CID 155878692) is N,N-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide is Cc1ccc(CN2CCCC(C(=O)N(C)C)(n3cccn3)C2)cc1.
What is the InChIKey of N,N-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide?
The InChIKey is XYMCQGYVVBEIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-16-6-8-17(9-7-16)14-22-12-4-10-19(15-22,18(24)21(2)3)23-13-5-11-20-23/h5-9,11,13H,4,10,12,14-15H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide?
N,N-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide is sourced from PubChem (CID 155878692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).