1-(cyclohexene-1-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide

C17H24N4O2 — CID 155879681

IUPAC1-(cyclohexene-1-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
SMILESCNC(=O)C1(n2cccn2)CCCN(C(=O)C2=CCCCC2)C1
InChIInChI=1S/C17H24N4O2/c1-18-16(23)17(21-12-6-10-19-21)9-5-11-20(13-17)15(22)14-7-3-2-4-8-14/h6-7,10,12H,2-5,8-9,11,13H2,1H3,(H,18,23)
InChIKeyVGWANNPBIGJLRW-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.45
Rot. Bonds3

About 1-(cyclohexene-1-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide

1-(cyclohexene-1-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide (PubChem CID 155879681) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(cyclohexene-1-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexene-1-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
PubChem CID155879681
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-(cyclohexene-1-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
SMILESCNC(=O)C1(n2cccn2)CCCN(C(=O)C2=CCCCC2)C1
InChIInChI=1S/C17H24N4O2/c1-18-16(23)17(21-12-6-10-19-21)9-5-11-20(13-17)15(22)14-7-3-2-4-8-14/h6-7,10,12H,2-5,8-9,11,13H2,1H3,(H,18,23)
InChIKeyVGWANNPBIGJLRW-UHFFFAOYSA-N
XLogP1.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylbenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879216
1-(4-fluorobenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879215
1-(2-fluoropyridine-4-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879678
1-(cyclopentene-1-carbonyl)-N,N-dimethyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155876824
N-methyl-3-pyrazol-1-yl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
CID 155879673
N-methyl-1-[2-(2-methylphenoxy)acetyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879396
1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879248
N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155880024
1-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155878944
N,N-dimethyl-1-prop-2-enoyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155880030
azetidin-1-yl(cyclopenten-1-yl)methanone
CID 126994970
1-(3,3-difluorocyclobutanecarbonyl)-N,N-dimethyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879589

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexene-1-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexene-1-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide (CID 155879681) is 1-(cyclohexene-1-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexene-1-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexene-1-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide is CNC(=O)C1(n2cccn2)CCCN(C(=O)C2=CCCCC2)C1.
What is the InChIKey of 1-(cyclohexene-1-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
The InChIKey is VGWANNPBIGJLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-18-16(23)17(21-12-6-10-19-21)9-5-11-20(13-17)15(22)14-7-3-2-4-8-14/h6-7,10,12H,2-5,8-9,11,13H2,1H3,(H,18,23).
What are the key properties of 1-(cyclohexene-1-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide?
1-(cyclohexene-1-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexene-1-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide is sourced from PubChem (CID 155879681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).