2-benzhydryloxy-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone

C25H30N2O3 — CID 36512164

IUPAC2-benzhydryloxy-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone
SMILESO=C(COC(c1ccccc1)c1ccccc1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C25H30N2O3/c28-23(26-15-17-27(18-16-26)25(29)22-13-7-8-14-22)19-30-24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,22,24H,7-8,13-19H2
InChIKeyXOOSTHORMFCWGE-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.65
Rot. Bonds6

About 2-benzhydryloxy-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone

2-benzhydryloxy-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone (PubChem CID 36512164) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-benzhydryloxy-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-benzhydryloxy-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone
PubChem CID36512164
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name2-benzhydryloxy-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone
SMILESO=C(COC(c1ccccc1)c1ccccc1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C25H30N2O3/c28-23(26-15-17-27(18-16-26)25(29)22-13-7-8-14-22)19-30-24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,22,24H,7-8,13-19H2
InChIKeyXOOSTHORMFCWGE-UHFFFAOYSA-N
XLogP3.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzhydryloxy-1-(4-cyclopentylpiperazin-1-yl)ethanone
CID 55583808
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110797836
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110364757
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone
CID 108533858
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 110366114
1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide
CID 49403155
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 108534050
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 113073983
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 110801022
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone
CID 112823841

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryloxy-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-benzhydryloxy-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone (CID 36512164) is 2-benzhydryloxy-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-benzhydryloxy-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-benzhydryloxy-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone is O=C(COC(c1ccccc1)c1ccccc1)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 2-benzhydryloxy-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone?
The InChIKey is XOOSTHORMFCWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c28-23(26-15-17-27(18-16-26)25(29)22-13-7-8-14-22)19-30-24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,22,24H,7-8,13-19H2.
What are the key properties of 2-benzhydryloxy-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone?
2-benzhydryloxy-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone has a molecular weight of 406.53 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryloxy-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 36512164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).