N-[(3,4-difluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

C19H20F2N2O3 — CID 170505407

IUPACN-[(3,4-difluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)NCc1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O3/c1-11-7-16(13-3-2-6-22-10-13)26-19(25)17(11)18(24)23-9-12-4-5-14(20)15(21)8-12/h4-5,7-8,13,22H,2-3,6,9-10H2,1H3,(H,23,24)
InChIKeyCCEKDGBYVUXMCX-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.62
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide

N-[(3,4-difluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (PubChem CID 170505407) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
PubChem CID170505407
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC NameN-[(3,4-difluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
SMILESCc1cc(C2CCCNC2)oc(=O)c1C(=O)NCc1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O3/c1-11-7-16(13-3-2-6-22-10-13)26-19(25)17(11)18(24)23-9-12-4-5-14(20)15(21)8-12/h4-5,7-8,13,22H,2-3,6,9-10H2,1H3,(H,23,24)
InChIKeyCCEKDGBYVUXMCX-UHFFFAOYSA-N
XLogP2.62
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide (CID 170505407) is N-[(3,4-difluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is Cc1cc(C2CCCNC2)oc(=O)c1C(=O)NCc1ccc(F)c(F)c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
The InChIKey is CCEKDGBYVUXMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c1-11-7-16(13-3-2-6-22-10-13)26-19(25)17(11)18(24)23-9-12-4-5-14(20)15(21)8-12/h4-5,7-8,13,22H,2-3,6,9-10H2,1H3,(H,23,24).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide?
N-[(3,4-difluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide has a molecular weight of 362.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide is sourced from PubChem (CID 170505407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).