[1-(cyclohexanecarbonyl)piperidin-4-yl] 2,2-diphenylacetate

C26H31NO3 — CID 67886001

IUPAC[1-(cyclohexanecarbonyl)piperidin-4-yl] 2,2-diphenylacetate
SMILESO=C(OC1CCN(C(=O)C2CCCCC2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31NO3/c28-25(22-14-8-3-9-15-22)27-18-16-23(17-19-27)30-26(29)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-13,22-24H,3,8-9,14-19H2
InChIKeyOXPGGRYWDZYIJD-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.93
Rot. Bonds5

About [1-(cyclohexanecarbonyl)piperidin-4-yl] 2,2-diphenylacetate

[1-(cyclohexanecarbonyl)piperidin-4-yl] 2,2-diphenylacetate (PubChem CID 67886001) has the molecular formula C26H31NO3 and a molecular weight of 405.54 g/mol. Its IUPAC name is [1-(cyclohexanecarbonyl)piperidin-4-yl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[1-(cyclohexanecarbonyl)piperidin-4-yl] 2,2-diphenylacetate
PubChem CID67886001
Molecular FormulaC26H31NO3
Molecular Weight405.54 g/mol
Exact Mass405.23
IUPAC Name[1-(cyclohexanecarbonyl)piperidin-4-yl] 2,2-diphenylacetate
SMILESO=C(OC1CCN(C(=O)C2CCCCC2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31NO3/c28-25(22-14-8-3-9-15-22)27-18-16-23(17-19-27)30-26(29)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-13,22-24H,3,8-9,14-19H2
InChIKeyOXPGGRYWDZYIJD-UHFFFAOYSA-N
XLogP4.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone
CID 108533858
2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002906
cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 113073983
dicyclohexyl 2-phenylpropanedioate
CID 130210180
methyl (2R)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylacetate
CID 95335169
[(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate
CID 769610
2-benzhydryloxy-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone
CID 36512164
phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 141023786
4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide
CID 47016173
[4-(benzenesulfonyl)piperidin-1-yl]-cyclohexylmethanone
CID 90589378
1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110725272
cyclohexyl 4-amino-4-phenylbutanoate
CID 61279831

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexanecarbonyl)piperidin-4-yl] 2,2-diphenylacetate?
The IUPAC name of [1-(cyclohexanecarbonyl)piperidin-4-yl] 2,2-diphenylacetate (CID 67886001) is [1-(cyclohexanecarbonyl)piperidin-4-yl] 2,2-diphenylacetate.
What is the SMILES notation for [1-(cyclohexanecarbonyl)piperidin-4-yl] 2,2-diphenylacetate?
The canonical SMILES for [1-(cyclohexanecarbonyl)piperidin-4-yl] 2,2-diphenylacetate is O=C(OC1CCN(C(=O)C2CCCCC2)CC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-(cyclohexanecarbonyl)piperidin-4-yl] 2,2-diphenylacetate?
The InChIKey is OXPGGRYWDZYIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO3/c28-25(22-14-8-3-9-15-22)27-18-16-23(17-19-27)30-26(29)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-13,22-24H,3,8-9,14-19H2.
What are the key properties of [1-(cyclohexanecarbonyl)piperidin-4-yl] 2,2-diphenylacetate?
[1-(cyclohexanecarbonyl)piperidin-4-yl] 2,2-diphenylacetate has a molecular weight of 405.54 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexanecarbonyl)piperidin-4-yl] 2,2-diphenylacetate is sourced from PubChem (CID 67886001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).