2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone

C19H26N2O2 — CID 95299608

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
SMILESCOc1ccccc1CN1CCN(C(=O)C[C@H]2C=CCC2)CC1
InChIInChI=1S/C19H26N2O2/c1-23-18-9-5-4-8-17(18)15-20-10-12-21(13-11-20)19(22)14-16-6-2-3-7-16/h2,4-6,8-9,16H,3,7,10-15H2,1H3/t16-/m0/s1
InChIKeyACUXNFWVCBDSGT-INIZCTEOSA-N
MW314.43 g/mol
LogP2.70
Rot. Bonds5

About 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone

2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 95299608) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
PubChem CID95299608
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
SMILESCOc1ccccc1CN1CCN(C(=O)C[C@H]2C=CCC2)CC1
InChIInChI=1S/C19H26N2O2/c1-23-18-9-5-4-8-17(18)15-20-10-12-21(13-11-20)19(22)14-16-6-2-3-7-16/h2,4-6,8-9,16H,3,7,10-15H2,1H3/t16-/m0/s1
InChIKeyACUXNFWVCBDSGT-INIZCTEOSA-N
XLogP2.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.70
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-cyclopentyl-1-[4-[(2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 136519424
2-[(1R,2S)-2-hydroxycyclohexyl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 100678175
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 119876167
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
2-[(3S)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]pyrrolidin-3-yl]-6-[(2-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136850519
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]ethanone
CID 94811563
(2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110014493
2-cyclopent-2-en-1-yl-1-[4-(2-ethoxyphenoxy)piperidin-1-yl]ethanone
CID 51092131
1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 110398993
2-amino-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119876135
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
(4-methoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 704389

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone (CID 95299608) is 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone is COc1ccccc1CN1CCN(C(=O)C[C@H]2C=CCC2)CC1.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is ACUXNFWVCBDSGT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-23-18-9-5-4-8-17(18)15-20-10-12-21(13-11-20)19(22)14-16-6-2-3-7-16/h2,4-6,8-9,16H,3,7,10-15H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone?
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 314.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 95299608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).