N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-3-carboxamide

C25H34F2N2O3 — CID 25018369

IUPACN-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-3-carboxamide
SMILESO=C(NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3F)CC2)CC1)C1CCOC1
InChIInChI=1S/C25H34F2N2O3/c26-20-3-6-22(23(27)15-20)24(30)18-8-12-29(13-9-18)11-7-17-1-4-21(5-2-17)28-25(31)19-10-14-32-16-19/h3,6,15,17-19,21H,1-2,4-5,7-14,16H2,(H,28,31)
InChIKeyLVQLTPGASYCEBW-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.96
Rot. Bonds7

About N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-3-carboxamide

N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-3-carboxamide (PubChem CID 25018369) has the molecular formula C25H34F2N2O3 and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-3-carboxamide
PubChem CID25018369
Molecular FormulaC25H34F2N2O3
Molecular Weight448.55 g/mol
Exact Mass448.25
IUPAC NameN-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-3-carboxamide
SMILESO=C(NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3F)CC2)CC1)C1CCOC1
InChIInChI=1S/C25H34F2N2O3/c26-20-3-6-22(23(27)15-20)24(30)18-8-12-29(13-9-18)11-7-17-1-4-21(5-2-17)28-25(31)19-10-14-32-16-19/h3,6,15,17-19,21H,1-2,4-5,7-14,16H2,(H,28,31)
InChIKeyLVQLTPGASYCEBW-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-3-carboxamide?
The IUPAC name of N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-3-carboxamide (CID 25018369) is N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-3-carboxamide?
The canonical SMILES for N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-3-carboxamide is O=C(NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3F)CC2)CC1)C1CCOC1.
What is the InChIKey of N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-3-carboxamide?
The InChIKey is LVQLTPGASYCEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F2N2O3/c26-20-3-6-22(23(27)15-20)24(30)18-8-12-29(13-9-18)11-7-17-1-4-21(5-2-17)28-25(31)19-10-14-32-16-19/h3,6,15,17-19,21H,1-2,4-5,7-14,16H2,(H,28,31).
What are the key properties of N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-3-carboxamide?
N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-3-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-3-carboxamide is sourced from PubChem (CID 25018369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).