methyl 2-(hydroxymethyl)-3-[2-(oxan-2-yl)pyrazol-3-yl]piperidine-1-carboxylate

C16H25N3O4 — CID 163392246

IUPACmethyl 2-(hydroxymethyl)-3-[2-(oxan-2-yl)pyrazol-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(c2ccnn2C2CCCCO2)C1CO
InChIInChI=1S/C16H25N3O4/c1-22-16(21)18-9-4-5-12(14(18)11-20)13-7-8-17-19(13)15-6-2-3-10-23-15/h7-8,12,14-15,20H,2-6,9-11H2,1H3
InChIKeyFFNZKWGGVVELND-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.89
Rot. Bonds3

About methyl 2-(hydroxymethyl)-3-[2-(oxan-2-yl)pyrazol-3-yl]piperidine-1-carboxylate

methyl 2-(hydroxymethyl)-3-[2-(oxan-2-yl)pyrazol-3-yl]piperidine-1-carboxylate (PubChem CID 163392246) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is methyl 2-(hydroxymethyl)-3-[2-(oxan-2-yl)pyrazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(hydroxymethyl)-3-[2-(oxan-2-yl)pyrazol-3-yl]piperidine-1-carboxylate
PubChem CID163392246
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Namemethyl 2-(hydroxymethyl)-3-[2-(oxan-2-yl)pyrazol-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(c2ccnn2C2CCCCO2)C1CO
InChIInChI=1S/C16H25N3O4/c1-22-16(21)18-9-4-5-12(14(18)11-20)13-7-8-17-19(13)15-6-2-3-10-23-15/h7-8,12,14-15,20H,2-6,9-11H2,1H3
InChIKeyFFNZKWGGVVELND-UHFFFAOYSA-N
XLogP1.89
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[1-[2-(2-Methylcyclohexyl)oxyethyl]piperidin-3-yl]pyrazol-1-yl]ethanol
CID 71891318
8-(2,2-Difluoroethyl)-10-(2-methylpyrazol-3-yl)-1-oxa-3,8-diazaspiro[5.5]undecane-3-carboxylic acid
CID 88924204
Tert-butyl 8-(2,2-difluoroethyl)-10-(2-methylpyrazol-3-yl)-1-oxa-3,8-diazaspiro[5.5]undecane-3-carboxylate
CID 88924211
(1,1,1-Trifluoro-3-hydroxypropan-2-yl) 4-[1-(oxan-4-yl)pyrazol-3-yl]piperidine-1-carboxylate
CID 126502821
Tert-butyl 4-(2,2-difluoroethyl)-11-(1-methylpyrazol-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 177736361
{3-[1-(butoxyacetyl)piperidin-3-yl]-1H-pyrazol-1-yl}acetic acid
CID 119069376
4-(2-Methyl-2H-pyrazol-3-yl)piperidine-1-carboxylic acid butyl ester
CID 69448963
1-O-tert-butyl 4-O-ethyl 3-(2-propan-2-ylpyrazol-3-yl)piperidine-1,4-dicarboxylate
CID 90407835
Methyl-[2-[methyl-[[3-[1-(2-methylpropyl)piperidin-4-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]carbamic acid
CID 90460490
Tert-butyl 4-[1-(oxan-4-yl)pyrazol-3-yl]piperidine-1-carboxylate
CID 126506229
4-[1-(Oxan-4-yl)pyrazol-3-yl]piperidine-1-carboxylic acid
CID 126527157
2-(Dimethylamino)ethyl 4-(5-cyclopropylpyrazol-1-yl)piperidine-1-carboxylate
CID 141163306

Frequently Asked Questions

What is the IUPAC name of methyl 2-(hydroxymethyl)-3-[2-(oxan-2-yl)pyrazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of methyl 2-(hydroxymethyl)-3-[2-(oxan-2-yl)pyrazol-3-yl]piperidine-1-carboxylate (CID 163392246) is methyl 2-(hydroxymethyl)-3-[2-(oxan-2-yl)pyrazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-(hydroxymethyl)-3-[2-(oxan-2-yl)pyrazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for methyl 2-(hydroxymethyl)-3-[2-(oxan-2-yl)pyrazol-3-yl]piperidine-1-carboxylate is COC(=O)N1CCCC(c2ccnn2C2CCCCO2)C1CO.
What is the InChIKey of methyl 2-(hydroxymethyl)-3-[2-(oxan-2-yl)pyrazol-3-yl]piperidine-1-carboxylate?
The InChIKey is FFNZKWGGVVELND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-22-16(21)18-9-4-5-12(14(18)11-20)13-7-8-17-19(13)15-6-2-3-10-23-15/h7-8,12,14-15,20H,2-6,9-11H2,1H3.
What are the key properties of methyl 2-(hydroxymethyl)-3-[2-(oxan-2-yl)pyrazol-3-yl]piperidine-1-carboxylate?
methyl 2-(hydroxymethyl)-3-[2-(oxan-2-yl)pyrazol-3-yl]piperidine-1-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxymethyl)-3-[2-(oxan-2-yl)pyrazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 163392246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).