(3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone

C13H21N3O — CID 56725204

IUPAC(3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)CC(C)C2)n(C)n1
InChIInChI=1S/C13H21N3O/c1-9-5-10(2)8-16(7-9)13(17)12-6-11(3)14-15(12)4/h6,9-10H,5,7-8H2,1-4H3
InChIKeyNBJFEHVLRULGGM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.85
Rot. Bonds1

About (3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone

(3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone (PubChem CID 56725204) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
PubChem CID56725204
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)CC(C)C2)n(C)n1
InChIInChI=1S/C13H21N3O/c1-9-5-10(2)8-16(7-9)13(17)12-6-11(3)14-15(12)4/h6,9-10H,5,7-8H2,1-4H3
InChIKeyNBJFEHVLRULGGM-UHFFFAOYSA-N
XLogP1.85
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 97465252
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 97465251
1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110685852
(3-chloropiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 66126511
(2,5-dimethylpyrazol-3-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498196
(3S,4S)-1-(2,5-dimethylpyrazole-3-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951643
(2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 66126872
(2,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66128203
(2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119402592
(2,5-dimethylpyrazol-3-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 66127135
(3S)-1-(2,5-dimethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 78996840
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,5-dimethylpyrazol-3-yl)methanone
CID 81483265

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone (CID 56725204) is (3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CC(C)CC(C)C2)n(C)n1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is NBJFEHVLRULGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-5-10(2)8-16(7-9)13(17)12-6-11(3)14-15(12)4/h6,9-10H,5,7-8H2,1-4H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone?
(3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 235.33 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 56725204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).