cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone

C23H26N2O3 — CID 38390849

IUPACcyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Oc1ccccc1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C23H26N2O3/c26-22(18-8-4-5-9-18)24-14-16-25(17-15-24)23(27)20-12-6-7-13-21(20)28-19-10-2-1-3-11-19/h1-3,6-7,10-13,18H,4-5,8-9,14-17H2
InChIKeyVDFZYBNYMBWTLX-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.95
Rot. Bonds4

About cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone

cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone (PubChem CID 38390849) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
PubChem CID38390849
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Namecyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Oc1ccccc1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C23H26N2O3/c26-22(18-8-4-5-9-18)24-14-16-25(17-15-24)23(27)20-12-6-7-13-21(20)28-19-10-2-1-3-11-19/h1-3,6-7,10-13,18H,4-5,8-9,14-17H2
InChIKeyVDFZYBNYMBWTLX-UHFFFAOYSA-N
XLogP3.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid
CID 45429227
(4-aminopiperidin-1-yl)-(2-phenoxyphenyl)methanone
CID 119373846
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopentylmethanone
CID 110797839
(4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone
CID 51252114
[3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 110878410
3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 70720977
cyclopropyl-[4-[2-(phenoxymethyl)benzoyl]piperazin-1-yl]methanone
CID 17411575
(3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 46546142
3-[4-(2-methoxybenzoyl)-1,4-diazepane-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 47071368
cyclobutyl-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78849804
(2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
CID 175091556
[(1S)-cyclohex-3-en-1-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 94096909

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone (CID 38390849) is cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone is O=C(c1ccccc1Oc1ccccc1)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone?
The InChIKey is VDFZYBNYMBWTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-22(18-8-4-5-9-18)24-14-16-25(17-15-24)23(27)20-12-6-7-13-21(20)28-19-10-2-1-3-11-19/h1-3,6-7,10-13,18H,4-5,8-9,14-17H2.
What are the key properties of cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone?
cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone has a molecular weight of 378.47 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 38390849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).