N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-2-carboxamide

C23H26N4O4 — CID 24791962

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCCCC2C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)o1
InChIInChI=1S/C23H26N4O4/c1-15-14-16(2)27(25-15)18-9-7-17(8-10-18)24-22(28)19-6-4-5-13-26(19)23(29)20-11-12-21(30-3)31-20/h7-12,14,19H,4-6,13H2,1-3H3,(H,24,28)
InChIKeyUAQIXRBYZBOTGX-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.72
Rot. Bonds5

About N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-2-carboxamide

N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-2-carboxamide (PubChem CID 24791962) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-2-carboxamide
PubChem CID24791962
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCCCC2C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)o1
InChIInChI=1S/C23H26N4O4/c1-15-14-16(2)27(25-15)18-9-7-17(8-10-18)24-22(28)19-6-4-5-13-26(19)23(29)20-11-12-21(30-3)31-20/h7-12,14,19H,4-6,13H2,1-3H3,(H,24,28)
InChIKeyUAQIXRBYZBOTGX-UHFFFAOYSA-N
XLogP3.72
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-2-carboxamide (CID 24791962) is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-2-carboxamide is COc1ccc(C(=O)N2CCCCC2C(=O)Nc2ccc(-n3nc(C)cc3C)cc2)o1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is UAQIXRBYZBOTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-15-14-16(2)27(25-15)18-9-7-17(8-10-18)24-22(28)19-6-4-5-13-26(19)23(29)20-11-12-21(30-3)31-20/h7-12,14,19H,4-6,13H2,1-3H3,(H,24,28).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-2-carboxamide?
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 24791962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).