(2,6-dimethylpiperidin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone

C14H21N3O2 — CID 84577583

IUPAC(2,6-dimethylpiperidin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1n[nH]c2c1COCC2
InChIInChI=1S/C14H21N3O2/c1-9-4-3-5-10(2)17(9)14(18)13-11-8-19-7-6-12(11)15-16-13/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyVFRJNRQTQNOKSC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.89
Rot. Bonds1

About (2,6-dimethylpiperidin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone

(2,6-dimethylpiperidin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone (PubChem CID 84577583) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
PubChem CID84577583
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2,6-dimethylpiperidin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1n[nH]c2c1COCC2
InChIInChI=1S/C14H21N3O2/c1-9-4-3-5-10(2)17(9)14(18)13-11-8-19-7-6-12(11)15-16-13/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyVFRJNRQTQNOKSC-UHFFFAOYSA-N
XLogP1.89
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110674214
(3S,8aR)-3-methyl-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137337400
azepan-1-yl 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylate
CID 90769172
6-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one
CID 91834946
[2-(furan-2-yl)azepan-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 91842248
N-(4-methoxycyclohexyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 163311601
1-[(3R,4S)-4-hydroxy-1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134701366
[2-(3-methoxyphenyl)azetidin-1-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 74232527
[(1R,2S,6R,9R)-6-(4-methoxyphenyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 166612447
1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 137456363
2-cyclobutyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide
CID 167904651
formic acid;[(1R,2S,8S,9S)-8-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 166598337

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone (CID 84577583) is (2,6-dimethylpiperidin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone is CC1CCCC(C)N1C(=O)c1n[nH]c2c1COCC2.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone?
The InChIKey is VFRJNRQTQNOKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-4-3-5-10(2)17(9)14(18)13-11-8-19-7-6-12(11)15-16-13/h9-10H,3-8H2,1-2H3,(H,15,16).
What are the key properties of (2,6-dimethylpiperidin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone?
(2,6-dimethylpiperidin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone is sourced from PubChem (CID 84577583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).