[(1S)-cyclohex-3-en-1-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone

C19H24N2O3 — CID 94096909

IUPAC[(1S)-cyclohex-3-en-1-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C19H24N2O3/c1-24-17-10-6-5-9-16(17)19(23)21-13-11-20(12-14-21)18(22)15-7-3-2-4-8-15/h2-3,5-6,9-10,15H,4,7-8,11-14H2,1H3/t15-/m1/s1
InChIKeyGOSSNFKYMYKRKL-OAHLLOKOSA-N
MW328.41 g/mol
LogP2.34
Rot. Bonds3

About [(1S)-cyclohex-3-en-1-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone

[(1S)-cyclohex-3-en-1-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone (PubChem CID 94096909) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is [(1S)-cyclohex-3-en-1-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(1S)-cyclohex-3-en-1-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
PubChem CID94096909
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name[(1S)-cyclohex-3-en-1-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C19H24N2O3/c1-24-17-10-6-5-9-16(17)19(23)21-13-11-20(12-14-21)18(22)15-7-3-2-4-8-15/h2-3,5-6,9-10,15H,4,7-8,11-14H2,1H3/t15-/m1/s1
InChIKeyGOSSNFKYMYKRKL-OAHLLOKOSA-N
XLogP2.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1S)-cyclohex-3-en-1-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

cyclohex-3-en-1-yl-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78850162
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 70720977
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
cyclohex-3-en-1-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162626054
3-[4-(2-methoxybenzoyl)-1,4-diazepane-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 47071368
cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 38390849
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide
CID 68776678
methyl 2-[4-[(1S)-cyclohex-3-ene-1-carbonyl]piperazin-1-yl]acetate
CID 99856666
cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110801029
cyclopentyl-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807483

Frequently Asked Questions

What is the IUPAC name of [(1S)-cyclohex-3-en-1-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone?
The IUPAC name of [(1S)-cyclohex-3-en-1-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone (CID 94096909) is [(1S)-cyclohex-3-en-1-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(1S)-cyclohex-3-en-1-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for [(1S)-cyclohex-3-en-1-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2CC=CCC2)CC1.
What is the InChIKey of [(1S)-cyclohex-3-en-1-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone?
The InChIKey is GOSSNFKYMYKRKL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-24-17-10-6-5-9-16(17)19(23)21-13-11-20(12-14-21)18(22)15-7-3-2-4-8-15/h2-3,5-6,9-10,15H,4,7-8,11-14H2,1H3/t15-/m1/s1.
What are the key properties of [(1S)-cyclohex-3-en-1-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone?
[(1S)-cyclohex-3-en-1-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone has a molecular weight of 328.41 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-cyclohex-3-en-1-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 94096909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).