1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide

C16H18F2N2O2 — CID 24793923

IUPAC1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1F)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C16H18F2N2O2/c17-13-3-1-2-10(15(13)18)8-19-16(22)11-4-7-14(21)20(9-11)12-5-6-12/h1-3,11-12H,4-9H2,(H,19,22)
InChIKeyZQRGBDIUPZMEKC-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.98
Rot. Bonds4

About 1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide

1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24793923) has the molecular formula C16H18F2N2O2 and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24793923
Molecular FormulaC16H18F2N2O2
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1F)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C16H18F2N2O2/c17-13-3-1-2-10(15(13)18)8-19-16(22)11-4-7-14(21)20(9-11)12-5-6-12/h1-3,11-12H,4-9H2,(H,19,22)
InChIKeyZQRGBDIUPZMEKC-UHFFFAOYSA-N
XLogP1.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24793923) is 1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is O=C(NCc1cccc(F)c1F)C1CCC(=O)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is ZQRGBDIUPZMEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2/c17-13-3-1-2-10(15(13)18)8-19-16(22)11-4-7-14(21)20(9-11)12-5-6-12/h1-3,11-12H,4-9H2,(H,19,22).
What are the key properties of 1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 308.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24793923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).