1-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-2-one

C26H34N2O3 — CID 66824781

IUPAC1-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-2-one
SMILESCOc1ccc(N2CCN(CC(C)=O)C(Cc3ccccc3)C2)cc1OC1CCCC1
InChIInChI=1S/C26H34N2O3/c1-20(29)18-27-14-15-28(19-23(27)16-21-8-4-3-5-9-21)22-12-13-25(30-2)26(17-22)31-24-10-6-7-11-24/h3-5,8-9,12-13,17,23-24H,6-7,10-11,14-16,18-19H2,1-2H3
InChIKeyNQOKHVFVXPCCCI-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.34
Rot. Bonds8

About 1-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-2-one

1-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-2-one (PubChem CID 66824781) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-2-one
PubChem CID66824781
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name1-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-2-one
SMILESCOc1ccc(N2CCN(CC(C)=O)C(Cc3ccccc3)C2)cc1OC1CCCC1
InChIInChI=1S/C26H34N2O3/c1-20(29)18-27-14-15-28(19-23(27)16-21-8-4-3-5-9-21)22-12-13-25(30-2)26(17-22)31-24-10-6-7-11-24/h3-5,8-9,12-13,17,23-24H,6-7,10-11,14-16,18-19H2,1-2H3
InChIKeyNQOKHVFVXPCCCI-UHFFFAOYSA-N
XLogP4.34
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-N'-methylacetohydrazide
CID 66826593
3-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-1-ol
CID 66824816
2-[(2S)-2-benzyl-4-(3-cyclobutyloxy-4-methoxyphenyl)piperazin-1-yl]-1-(1H-pyrrol-3-yl)ethanone
CID 123468996
(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpiperazine
CID 23627568
1-[(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone
CID 58189146
2-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide
CID 66824930
2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 67272024
[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone
CID 67292598
1-[(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 58189028
3-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-3-oxopropanehydrazide
CID 66825417
ethyl 4-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-4-oxobutanoate
CID 123451512
1-[(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 58188998

Frequently Asked Questions

What is the IUPAC name of 1-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-2-one?
The IUPAC name of 1-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-2-one (CID 66824781) is 1-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-2-one.
What is the SMILES notation for 1-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-2-one?
The canonical SMILES for 1-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-2-one is COc1ccc(N2CCN(CC(C)=O)C(Cc3ccccc3)C2)cc1OC1CCCC1.
What is the InChIKey of 1-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-2-one?
The InChIKey is NQOKHVFVXPCCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-20(29)18-27-14-15-28(19-23(27)16-21-8-4-3-5-9-21)22-12-13-25(30-2)26(17-22)31-24-10-6-7-11-24/h3-5,8-9,12-13,17,23-24H,6-7,10-11,14-16,18-19H2,1-2H3.
What are the key properties of 1-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-2-one?
1-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-2-one has a molecular weight of 422.57 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]propan-2-one is sourced from PubChem (CID 66824781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).