N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopiperidin-1-yl)cyclohexane-1-carboxamide

C23H25F2N3O2 — CID 46913706

IUPACN-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopiperidin-1-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)C1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C23H25F2N3O2/c24-18-11-17(12-19(25)13-18)16-6-9-21(26-14-16)27-23(30)15-4-7-20(8-5-15)28-10-2-1-3-22(28)29/h6,9,11-15,20H,1-5,7-8,10H2,(H,26,27,30)
InChIKeyCUSVWNVJYBQYIM-UHFFFAOYSA-N
MW413.47 g/mol
LogP4.54
Rot. Bonds4

About N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopiperidin-1-yl)cyclohexane-1-carboxamide

N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopiperidin-1-yl)cyclohexane-1-carboxamide (PubChem CID 46913706) has the molecular formula C23H25F2N3O2 and a molecular weight of 413.47 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopiperidin-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopiperidin-1-yl)cyclohexane-1-carboxamide
PubChem CID46913706
Molecular FormulaC23H25F2N3O2
Molecular Weight413.47 g/mol
Exact Mass413.19
IUPAC NameN-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopiperidin-1-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)C1CCC(N2CCCCC2=O)CC1
InChIInChI=1S/C23H25F2N3O2/c24-18-11-17(12-19(25)13-18)16-6-9-21(26-14-16)27-23(30)15-4-7-20(8-5-15)28-10-2-1-3-22(28)29/h6,9,11-15,20H,1-5,7-8,10H2,(H,26,27,30)
InChIKeyCUSVWNVJYBQYIM-UHFFFAOYSA-N
XLogP4.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopiperidin-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopiperidin-1-yl)cyclohexane-1-carboxamide (CID 46913706) is N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopiperidin-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopiperidin-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopiperidin-1-yl)cyclohexane-1-carboxamide is O=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)C1CCC(N2CCCCC2=O)CC1.
What is the InChIKey of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopiperidin-1-yl)cyclohexane-1-carboxamide?
The InChIKey is CUSVWNVJYBQYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O2/c24-18-11-17(12-19(25)13-18)16-6-9-21(26-14-16)27-23(30)15-4-7-20(8-5-15)28-10-2-1-3-22(28)29/h6,9,11-15,20H,1-5,7-8,10H2,(H,26,27,30).
What are the key properties of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopiperidin-1-yl)cyclohexane-1-carboxamide?
N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopiperidin-1-yl)cyclohexane-1-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopiperidin-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 46913706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).