[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone

C20H25NO2 — CID 94797927

IUPAC[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1
InChIInChI=1S/C20H25NO2/c1-15-7-9-16(10-8-15)19(22)17-11-13-21(14-12-17)20(23)18-5-3-2-4-6-18/h2-3,7-10,17-18H,4-6,11-14H2,1H3/t18-/m1/s1
InChIKeyHNJKDCVIIWSEQA-GOSISDBHSA-N
MW311.43 g/mol
LogP3.77
Rot. Bonds3

About [1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone

[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone (PubChem CID 94797927) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is [1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
PubChem CID94797927
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1
InChIInChI=1S/C20H25NO2/c1-15-7-9-16(10-8-15)19(22)17-11-13-21(14-12-17)20(23)18-5-3-2-4-6-18/h2-3,7-10,17-18H,4-6,11-14H2,1H3/t18-/m1/s1
InChIKeyHNJKDCVIIWSEQA-GOSISDBHSA-N
XLogP3.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 55956853
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
(4-aminopiperidin-1-yl)-cyclohex-3-en-1-ylmethanone
CID 43556220
1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
CID 25493262
cyclohex-3-en-1-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162626054
[(1R)-cyclohex-3-en-1-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 51970274
cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
1-[4-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 17448030
6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174433
[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 86847153
2-(2,6-dimethylphenoxy)-1-[4-(4-methylbenzoyl)piperidin-1-yl]ethanone
CID 55956198
[(1S)-cyclohex-3-en-1-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 94096909

Frequently Asked Questions

What is the IUPAC name of [1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone (CID 94797927) is [1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc1.
What is the InChIKey of [1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The InChIKey is HNJKDCVIIWSEQA-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15-7-9-16(10-8-15)19(22)17-11-13-21(14-12-17)20(23)18-5-3-2-4-6-18/h2-3,7-10,17-18H,4-6,11-14H2,1H3/t18-/m1/s1.
What are the key properties of [1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone has a molecular weight of 311.43 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 94797927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).