methyl 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxylate

C17H27N3O4 — CID 16802437

IUPACmethyl 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxylate
SMILESCCCOc1nn(CCC)cc1C(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C17H27N3O4/c1-4-8-20-12-14(15(18-20)24-11-5-2)16(21)19-9-6-13(7-10-19)17(22)23-3/h12-13H,4-11H2,1-3H3
InChIKeyHYOGAVAUFIHYAW-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.11
Rot. Bonds7

About methyl 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxylate

methyl 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxylate (PubChem CID 16802437) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is methyl 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxylate
PubChem CID16802437
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Namemethyl 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxylate
SMILESCCCOc1nn(CCC)cc1C(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C17H27N3O4/c1-4-8-20-12-14(15(18-20)24-11-5-2)16(21)19-9-6-13(7-10-19)17(22)23-3/h12-13H,4-11H2,1-3H3
InChIKeyHYOGAVAUFIHYAW-UHFFFAOYSA-N
XLogP2.11
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxylate (CID 16802437) is methyl 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxylate is CCCOc1nn(CCC)cc1C(=O)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is HYOGAVAUFIHYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-4-8-20-12-14(15(18-20)24-11-5-2)16(21)19-9-6-13(7-10-19)17(22)23-3/h12-13H,4-11H2,1-3H3.
What are the key properties of methyl 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxylate?
methyl 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-propoxy-1-propylpyrazole-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 16802437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).