[4-phenyl-1-(2-phenylmethoxyacetyl)piperidin-4-yl] N-[(3,4-difluorophenyl)methyl]carbamate

C28H28F2N2O4 — CID 71134023

IUPAC[4-phenyl-1-(2-phenylmethoxyacetyl)piperidin-4-yl] N-[(3,4-difluorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(F)c(F)c1)OC1(c2ccccc2)CCN(C(=O)COCc2ccccc2)CC1
InChIInChI=1S/C28H28F2N2O4/c29-24-12-11-22(17-25(24)30)18-31-27(34)36-28(23-9-5-2-6-10-23)13-15-32(16-14-28)26(33)20-35-19-21-7-3-1-4-8-21/h1-12,17H,13-16,18-20H2,(H,31,34)
InChIKeyFKCVSCQBBHTKFH-UHFFFAOYSA-N
MW494.54 g/mol
LogP4.93
Rot. Bonds8

About [4-phenyl-1-(2-phenylmethoxyacetyl)piperidin-4-yl] N-[(3,4-difluorophenyl)methyl]carbamate

[4-phenyl-1-(2-phenylmethoxyacetyl)piperidin-4-yl] N-[(3,4-difluorophenyl)methyl]carbamate (PubChem CID 71134023) has the molecular formula C28H28F2N2O4 and a molecular weight of 494.54 g/mol. Its IUPAC name is [4-phenyl-1-(2-phenylmethoxyacetyl)piperidin-4-yl] N-[(3,4-difluorophenyl)methyl]carbamate.

Molecular Properties

Compound Name[4-phenyl-1-(2-phenylmethoxyacetyl)piperidin-4-yl] N-[(3,4-difluorophenyl)methyl]carbamate
PubChem CID71134023
Molecular FormulaC28H28F2N2O4
Molecular Weight494.54 g/mol
Exact Mass494.20
IUPAC Name[4-phenyl-1-(2-phenylmethoxyacetyl)piperidin-4-yl] N-[(3,4-difluorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(F)c(F)c1)OC1(c2ccccc2)CCN(C(=O)COCc2ccccc2)CC1
InChIInChI=1S/C28H28F2N2O4/c29-24-12-11-22(17-25(24)30)18-31-27(34)36-28(23-9-5-2-6-10-23)13-15-32(16-14-28)26(33)20-35-19-21-7-3-1-4-8-21/h1-12,17H,13-16,18-20H2,(H,31,34)
InChIKeyFKCVSCQBBHTKFH-UHFFFAOYSA-N
XLogP4.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.54
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-phenyl-1-(2-phenylmethoxyacetyl)piperidin-4-yl] N-[(3,4-difluorophenyl)methyl]carbamate?
The IUPAC name of [4-phenyl-1-(2-phenylmethoxyacetyl)piperidin-4-yl] N-[(3,4-difluorophenyl)methyl]carbamate (CID 71134023) is [4-phenyl-1-(2-phenylmethoxyacetyl)piperidin-4-yl] N-[(3,4-difluorophenyl)methyl]carbamate.
What is the SMILES notation for [4-phenyl-1-(2-phenylmethoxyacetyl)piperidin-4-yl] N-[(3,4-difluorophenyl)methyl]carbamate?
The canonical SMILES for [4-phenyl-1-(2-phenylmethoxyacetyl)piperidin-4-yl] N-[(3,4-difluorophenyl)methyl]carbamate is O=C(NCc1ccc(F)c(F)c1)OC1(c2ccccc2)CCN(C(=O)COCc2ccccc2)CC1.
What is the InChIKey of [4-phenyl-1-(2-phenylmethoxyacetyl)piperidin-4-yl] N-[(3,4-difluorophenyl)methyl]carbamate?
The InChIKey is FKCVSCQBBHTKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N2O4/c29-24-12-11-22(17-25(24)30)18-31-27(34)36-28(23-9-5-2-6-10-23)13-15-32(16-14-28)26(33)20-35-19-21-7-3-1-4-8-21/h1-12,17H,13-16,18-20H2,(H,31,34).
What are the key properties of [4-phenyl-1-(2-phenylmethoxyacetyl)piperidin-4-yl] N-[(3,4-difluorophenyl)methyl]carbamate?
[4-phenyl-1-(2-phenylmethoxyacetyl)piperidin-4-yl] N-[(3,4-difluorophenyl)methyl]carbamate has a molecular weight of 494.54 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenyl-1-(2-phenylmethoxyacetyl)piperidin-4-yl] N-[(3,4-difluorophenyl)methyl]carbamate is sourced from PubChem (CID 71134023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).