(4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone

C22H26N2O2 — CID 55584193

IUPAC(4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H26N2O2/c25-22(24-16-14-23(15-17-24)19-6-4-5-7-19)18-10-12-21(13-11-18)26-20-8-2-1-3-9-20/h1-3,8-13,19H,4-7,14-17H2
InChIKeyMZUFVHCEQRAVDC-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.18
Rot. Bonds4

About (4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone

(4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone (PubChem CID 55584193) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
PubChem CID55584193
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C22H26N2O2/c25-22(24-16-14-23(15-17-24)19-6-4-5-7-19)18-10-12-21(13-11-18)26-20-8-2-1-3-9-20/h1-3,8-13,19H,4-7,14-17H2
InChIKeyMZUFVHCEQRAVDC-UHFFFAOYSA-N
XLogP4.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
1-[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 39980027
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
phenyl 4-cyclopentylpiperazine-1-carboxylate
CID 60745355
(4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone
CID 17249054
(4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 24517801
[4-(bromomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 102851595
(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid
CID 17366000
[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 51458046
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one
CID 52573410

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone (CID 55584193) is (4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone is O=C(c1ccc(Oc2ccccc2)cc1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone?
The InChIKey is MZUFVHCEQRAVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-22(24-16-14-23(15-17-24)19-6-4-5-7-19)18-10-12-21(13-11-18)26-20-8-2-1-3-9-20/h1-3,8-13,19H,4-7,14-17H2.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone?
(4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone has a molecular weight of 350.46 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 55584193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).