1-(cyclohexanecarbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide

C18H28N4O2 — CID 155871471

IUPAC1-(cyclohexanecarbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1(n2cccn2)CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-20(2)17(24)18(22-12-6-11-19-22)9-13-21(14-10-18)16(23)15-7-4-3-5-8-15/h6,11-12,15H,3-5,7-10,13-14H2,1-2H3
InChIKeyTYAPNARXPYLLNT-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.87
Rot. Bonds3

About 1-(cyclohexanecarbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide

1-(cyclohexanecarbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 155871471) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID155871471
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-(cyclohexanecarbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1(n2cccn2)CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-20(2)17(24)18(22-12-6-11-19-22)9-13-21(14-10-18)16(23)15-7-4-3-5-8-15/h6,11-12,15H,3-5,7-10,13-14H2,1-2H3
InChIKeyTYAPNARXPYLLNT-UHFFFAOYSA-N
XLogP1.87
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexanecarbonyl)-N-(cyclopropylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155875526
N,N-dimethyl-1-[2-(oxan-4-yl)acetyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155873079
1-(3,3-difluorocyclobutanecarbonyl)-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879589
1-(3-methoxypropanoyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155873177
1-[(1R)-cyclohex-3-ene-1-carbonyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 95888744
N-cyclohexyl-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120916893
N,N-dimethyl-1-prop-2-enoyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155880030
N,N-dimethyl-1-(2-phenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155879570
N-cyclopentyl-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920310
N,N-dimethyl-4-pyrazol-1-yl-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide;formic acid
CID 155876835
1-(cyclopentanecarbonyl)-N,N-dimethyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 155982821
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(cyclohexanecarbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 155871471) is 1-(cyclohexanecarbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(cyclohexanecarbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide is CN(C)C(=O)C1(n2cccn2)CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexanecarbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is TYAPNARXPYLLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-20(2)17(24)18(22-12-6-11-19-22)9-13-21(14-10-18)16(23)15-7-4-3-5-8-15/h6,11-12,15H,3-5,7-10,13-14H2,1-2H3.
What are the key properties of 1-(cyclohexanecarbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
1-(cyclohexanecarbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 155871471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).