1-(3-methoxy-1-methylpyrazole-4-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C17H26N4O4 — CID 71782940

IUPAC1-(3-methoxy-1-methylpyrazole-4-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)N1CCC(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C17H26N4O4/c1-20-11-14(16(19-20)24-2)17(23)21-7-5-12(6-8-21)15(22)18-10-13-4-3-9-25-13/h11-13H,3-10H2,1-2H3,(H,18,22)
InChIKeyPJWOJAKCSLJGAF-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.58
Rot. Bonds5

About 1-(3-methoxy-1-methylpyrazole-4-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-(3-methoxy-1-methylpyrazole-4-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 71782940) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-(3-methoxy-1-methylpyrazole-4-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-methoxy-1-methylpyrazole-4-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID71782940
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name1-(3-methoxy-1-methylpyrazole-4-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)N1CCC(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C17H26N4O4/c1-20-11-14(16(19-20)24-2)17(23)21-7-5-12(6-8-21)15(22)18-10-13-4-3-9-25-13/h11-13H,3-10H2,1-2H3,(H,18,22)
InChIKeyPJWOJAKCSLJGAF-UHFFFAOYSA-N
XLogP0.58
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-1-methylpyrazole-4-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-methoxy-1-methylpyrazole-4-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 71782940) is 1-(3-methoxy-1-methylpyrazole-4-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-methoxy-1-methylpyrazole-4-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-methoxy-1-methylpyrazole-4-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is COc1nn(C)cc1C(=O)N1CCC(C(=O)NCC2CCCO2)CC1.
What is the InChIKey of 1-(3-methoxy-1-methylpyrazole-4-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is PJWOJAKCSLJGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-20-11-14(16(19-20)24-2)17(23)21-7-5-12(6-8-21)15(22)18-10-13-4-3-9-25-13/h11-13H,3-10H2,1-2H3,(H,18,22).
What are the key properties of 1-(3-methoxy-1-methylpyrazole-4-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-(3-methoxy-1-methylpyrazole-4-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-1-methylpyrazole-4-carbonyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 71782940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).