(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone

C17H24N2O2 — CID 796432

IUPAC(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H24N2O2/c1-21-16-9-5-4-8-15(16)17(20)19-12-10-18(11-13-19)14-6-2-3-7-14/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3
InChIKeyLABGAQYYOLPQTQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.40
Rot. Bonds3

About (4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone

(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone (PubChem CID 796432) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
PubChem CID796432
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H24N2O2/c1-21-16-9-5-4-8-15(16)17(20)19-12-10-18(11-13-19)14-6-2-3-7-14/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3
InChIKeyLABGAQYYOLPQTQ-UHFFFAOYSA-N
XLogP2.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-[4-[(1R,3S)-3-methylcyclohexyl]piperazin-1-yl]methanone
CID 796507
(4-cyclopentylpiperazin-1-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 134020580
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
(4-cyclopentylpiperazin-1-yl)-(2-iodophenyl)methanone
CID 60735523
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
(4-cyclopentylpiperazin-1-yl)-[2-(methylamino)phenyl]methanone
CID 62368670
(2-aminophenyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119946429
2-[[3-(4-cyclopentylpiperazine-1-carbonyl)-4-methoxyphenyl]methyl]isoindole-1,3-dione
CID 55584263
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]ethanone
CID 57442807
1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea
CID 127232346
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 45187407

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone (CID 796432) is (4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone?
The InChIKey is LABGAQYYOLPQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-16-9-5-4-8-15(16)17(20)19-12-10-18(11-13-19)14-6-2-3-7-14/h4-5,8-9,14H,2-3,6-7,10-13H2,1H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone?
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone has a molecular weight of 288.39 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 796432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).