N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2-oxopiperidine-4-carboxamide

C12H16F2N4O2 — CID 167805385

IUPACN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cn(C)nc2C(F)F)CC1=O
InChIInChI=1S/C12H16F2N4O2/c1-17-4-3-7(5-9(17)19)12(20)15-8-6-18(2)16-10(8)11(13)14/h6-7,11H,3-5H2,1-2H3,(H,15,20)
InChIKeyLIAHGRZFHHBBOS-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.16
Rot. Bonds3

About N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2-oxopiperidine-4-carboxamide

N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2-oxopiperidine-4-carboxamide (PubChem CID 167805385) has the molecular formula C12H16F2N4O2 and a molecular weight of 286.28 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2-oxopiperidine-4-carboxamide
PubChem CID167805385
Molecular FormulaC12H16F2N4O2
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2-oxopiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cn(C)nc2C(F)F)CC1=O
InChIInChI=1S/C12H16F2N4O2/c1-17-4-3-7(5-9(17)19)12(20)15-8-6-18(2)16-10(8)11(13)14/h6-7,11H,3-5H2,1-2H3,(H,15,20)
InChIKeyLIAHGRZFHHBBOS-UHFFFAOYSA-N
XLogP1.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]phenyl]acetic acid
CID 129467310
N-(6-amino-1,3-benzodioxol-5-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 119618709
N-[4-(hydroxymethyl)-3-pyridinyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 167834230
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide
CID 167786912
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(2-oxo-4-phenyl-1,3-diazinan-1-yl)acetamide
CID 146101874
N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 47154418
1-methyl-2-oxo-N-(2-phenylmethoxy-3-pyridinyl)piperidine-4-carboxamide
CID 75461391
1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-3-[2-(thian-4-yloxy)ethyl]urea
CID 146103717
N-(2,2-diphenylethyl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 75460632
(4S)-N-[(2R)-1-(4-fluorophenyl)propan-2-yl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 97311981
N-[2-amino-5-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]phenyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 89183145
N-[2-amino-5-(cyclohexen-1-yl)phenyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 89183110

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2-oxopiperidine-4-carboxamide (CID 167805385) is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2-oxopiperidine-4-carboxamide is CN1CCC(C(=O)Nc2cn(C)nc2C(F)F)CC1=O.
What is the InChIKey of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2-oxopiperidine-4-carboxamide?
The InChIKey is LIAHGRZFHHBBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4O2/c1-17-4-3-7(5-9(17)19)12(20)15-8-6-18(2)16-10(8)11(13)14/h6-7,11H,3-5H2,1-2H3,(H,15,20).
What are the key properties of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2-oxopiperidine-4-carboxamide?
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2-oxopiperidine-4-carboxamide has a molecular weight of 286.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-1-methyl-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 167805385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).