2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxamide

C13H20N4O2 — CID 99802787

IUPAC2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxamide
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)Cn1nccc1C(N)=O
InChIInChI=1S/C13H20N4O2/c1-9-4-3-5-10(2)17(9)12(18)8-16-11(13(14)19)6-7-15-16/h6-7,9-10H,3-5,8H2,1-2H3,(H2,14,19)/t9-,10+
InChIKeyBKYKZPVBTCCNMA-AOOOYVTPSA-N
MW264.33 g/mol
LogP0.77
Rot. Bonds3

About 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxamide

2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxamide (PubChem CID 99802787) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxamide
PubChem CID99802787
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxamide
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)Cn1nccc1C(N)=O
InChIInChI=1S/C13H20N4O2/c1-9-4-3-5-10(2)17(9)12(18)8-16-11(13(14)19)6-7-15-16/h6-7,9-10H,3-5,8H2,1-2H3,(H2,14,19)/t9-,10+
InChIKeyBKYKZPVBTCCNMA-AOOOYVTPSA-N
XLogP0.77
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 104966869
2-(oxan-4-ylmethyl)pyrazole-3-carboxamide
CID 90104813
4-amino-2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyridazin-3-one
CID 51495017
3-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 107460810
1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one
CID 20873127
2-(thietan-3-ylmethyl)pyrazole-3-carboxamide
CID 139371051
5,6-dichloro-2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 2654484
2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 95286772
2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 95286774
2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 95284309
3-(5-carbamoylpyrazol-1-yl)propanoic acid
CID 50896470
4-amino-2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 51496325

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxamide?
The IUPAC name of 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxamide (CID 99802787) is 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxamide is C[C@@H]1CCC[C@H](C)N1C(=O)Cn1nccc1C(N)=O.
What is the InChIKey of 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxamide?
The InChIKey is BKYKZPVBTCCNMA-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-4-3-5-10(2)17(9)12(18)8-16-11(13(14)19)6-7-15-16/h6-7,9-10H,3-5,8H2,1-2H3,(H2,14,19)/t9-,10+.
What are the key properties of 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxamide?
2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 99802787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).