ethyl 2,6-dimethyl-4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate

C19H32N4O2 — CID 155147916

IUPACethyl 2,6-dimethyl-4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1C(C)CC(N2CCC(n3cc(C)cn3)CC2)CC1C
InChIInChI=1S/C19H32N4O2/c1-5-25-19(24)23-15(3)10-18(11-16(23)4)21-8-6-17(7-9-21)22-13-14(2)12-20-22/h12-13,15-18H,5-11H2,1-4H3
InChIKeyHYVXJQJIYAHJFW-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.23
Rot. Bonds3

About ethyl 2,6-dimethyl-4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate

ethyl 2,6-dimethyl-4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 155147916) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is ethyl 2,6-dimethyl-4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dimethyl-4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
PubChem CID155147916
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Nameethyl 2,6-dimethyl-4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1C(C)CC(N2CCC(n3cc(C)cn3)CC2)CC1C
InChIInChI=1S/C19H32N4O2/c1-5-25-19(24)23-15(3)10-18(11-16(23)4)21-8-6-17(7-9-21)22-13-14(2)12-20-22/h12-13,15-18H,5-11H2,1-4H3
InChIKeyHYVXJQJIYAHJFW-UHFFFAOYSA-N
XLogP3.23
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7-[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 146279032
7-(4-methylpyrazol-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 155458905
2-methyl-1-[4-[[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one
CID 155740508
ethyl 4-[4-[acetyl-[(1-methylcyclobutyl)methyl]amino]piperidin-1-yl]-2,6-dimethylpiperidine-1-carboxylate
CID 155147928
1-cyclobutyl-4-methylpyrazole
CID 59225391
2-cyclopentyloxy-1-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 56789506
4-methyl-1-(1-methylpyrrolidin-3-yl)pyrazole
CID 70661033
1-(1-cyclopentylpyrrolidin-3-yl)-4-methylpyrazole
CID 126947275
1-cyclobutyl-4-methylpyrazole;ethane;methanol
CID 162747933
1-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]pent-4-en-1-one
CID 154831146
1-[3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]azetidin-1-yl]ethanone
CID 136543837
3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 119881484

Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dimethyl-4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 2,6-dimethyl-4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate (CID 155147916) is ethyl 2,6-dimethyl-4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 2,6-dimethyl-4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 2,6-dimethyl-4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1C(C)CC(N2CCC(n3cc(C)cn3)CC2)CC1C.
What is the InChIKey of ethyl 2,6-dimethyl-4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is HYVXJQJIYAHJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-5-25-19(24)23-15(3)10-18(11-16(23)4)21-8-6-17(7-9-21)22-13-14(2)12-20-22/h12-13,15-18H,5-11H2,1-4H3.
What are the key properties of ethyl 2,6-dimethyl-4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate?
ethyl 2,6-dimethyl-4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 348.49 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dimethyl-4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 155147916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).