2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone

C19H24N2O3 — CID 29154201

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)c1
InChIInChI=1S/C19H24N2O3/c1-24-17-8-4-7-16(14-17)19(23)21-11-9-20(10-12-21)18(22)13-15-5-2-3-6-15/h2,4-5,7-8,14-15H,3,6,9-13H2,1H3/t15-/m1/s1
InChIKeyJSQNJFJQYWVAQT-OAHLLOKOSA-N
MW328.41 g/mol
LogP2.34
Rot. Bonds4

About 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone

2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone (PubChem CID 29154201) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
PubChem CID29154201
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)c1
InChIInChI=1S/C19H24N2O3/c1-24-17-8-4-7-16(14-17)19(23)21-11-9-20(10-12-21)18(22)13-15-5-2-3-6-15/h2,4-5,7-8,14-15H,3,6,9-13H2,1H3/t15-/m1/s1
InChIKeyJSQNJFJQYWVAQT-OAHLLOKOSA-N
XLogP2.34
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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'}

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Related Compounds

2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]ethanone
CID 94811563
1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
CID 94334132
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;oxalic acid
CID 17385000
3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603347
2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide
CID 38047605
[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 23790808
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-[(3R)-morpholin-3-yl]ethanone
CID 95714397
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119727506
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
[4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-4-ium-1-yl]-(3-methoxyphenyl)methanone
CID 6939773

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone (CID 29154201) is 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone is COc1cccc(C(=O)N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)c1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone?
The InChIKey is JSQNJFJQYWVAQT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-24-17-8-4-7-16(14-17)19(23)21-11-9-20(10-12-21)18(22)13-15-5-2-3-6-15/h2,4-5,7-8,14-15H,3,6,9-13H2,1H3/t15-/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone?
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone has a molecular weight of 328.41 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 29154201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).