N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]acetamide

C31H36N4O2 — CID 46377850

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1)NCCC1=CCCCC1
InChIInChI=1S/C31H36N4O2/c36-29(32-19-16-24-10-4-1-5-11-24)22-25-17-20-34(21-18-25)31(37)28-23-35(27-14-8-3-9-15-27)33-30(28)26-12-6-2-7-13-26/h2-3,6-10,12-15,23,25H,1,4-5,11,16-22H2,(H,32,36)
InChIKeyFIJGOHCXLJTNEO-UHFFFAOYSA-N
MW496.66 g/mol
LogP5.79
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]acetamide (PubChem CID 46377850) has the molecular formula C31H36N4O2 and a molecular weight of 496.66 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]acetamide
PubChem CID46377850
Molecular FormulaC31H36N4O2
Molecular Weight496.66 g/mol
Exact Mass496.28
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1)NCCC1=CCCCC1
InChIInChI=1S/C31H36N4O2/c36-29(32-19-16-24-10-4-1-5-11-24)22-25-17-20-34(21-18-25)31(37)28-23-35(27-14-8-3-9-15-27)33-30(28)26-12-6-2-7-13-26/h2-3,6-10,12-15,23,25H,1,4-5,11,16-22H2,(H,32,36)
InChIKeyFIJGOHCXLJTNEO-UHFFFAOYSA-N
XLogP5.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.66
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46377846
2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 46377856
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 46295211
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
N-[[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 55781057
2-[1-(3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92880086
(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-propylpiperidin-1-yl)methanone
CID 167974805
N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide
CID 26456307
(2R)-N-cyclohexyl-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]propanamide
CID 92880146
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200834
[(3R)-3-aminopyrrolidin-1-yl]-[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methanone;hydrochloride
CID 119412111
ethyl 4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethoxy]-1-phenylpyrazole-3-carboxylate
CID 55750542

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]acetamide (CID 46377850) is N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]acetamide is O=C(CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is FIJGOHCXLJTNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O2/c36-29(32-19-16-24-10-4-1-5-11-24)22-25-17-20-34(21-18-25)31(37)28-23-35(27-14-8-3-9-15-27)33-30(28)26-12-6-2-7-13-26/h2-3,6-10,12-15,23,25H,1,4-5,11,16-22H2,(H,32,36).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 496.66 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(1,3-diphenylpyrazole-4-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46377850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).