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

C24H30N4O2 — CID 24818915

IUPAC1-[(4,5-dimethylfuran-2-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C3CCN(Cc4cc(C)c(C)o4)CC3)cc2)n1
InChIInChI=1S/C24H30N4O2/c1-16-13-23(30-19(16)4)15-27-11-9-20(10-12-27)24(29)25-21-5-7-22(8-6-21)28-18(3)14-17(2)26-28/h5-8,13-14,20H,9-12,15H2,1-4H3,(H,25,29)
InChIKeyBQBUSEADUXMSGX-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.55
Rot. Bonds5

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

1-[(4,5-dimethylfuran-2-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide (PubChem CID 24818915) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[(4,5-dimethylfuran-2-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4,5-dimethylfuran-2-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide
PubChem CID24818915
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name1-[(4,5-dimethylfuran-2-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C3CCN(Cc4cc(C)c(C)o4)CC3)cc2)n1
InChIInChI=1S/C24H30N4O2/c1-16-13-23(30-19(16)4)15-27-11-9-20(10-12-27)24(29)25-21-5-7-22(8-6-21)28-18(3)14-17(2)26-28/h5-8,13-14,20H,9-12,15H2,1-4H3,(H,25,29)
InChIKeyBQBUSEADUXMSGX-UHFFFAOYSA-N
XLogP4.55
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethylfuran-2-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4,5-dimethylfuran-2-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide (CID 24818915) is 1-[(4,5-dimethylfuran-2-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4,5-dimethylfuran-2-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4,5-dimethylfuran-2-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(Cc4cc(C)c(C)o4)CC3)cc2)n1.
What is the InChIKey of 1-[(4,5-dimethylfuran-2-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is BQBUSEADUXMSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-16-13-23(30-19(16)4)15-27-11-9-20(10-12-27)24(29)25-21-5-7-22(8-6-21)28-18(3)14-17(2)26-28/h5-8,13-14,20H,9-12,15H2,1-4H3,(H,25,29).
What are the key properties of 1-[(4,5-dimethylfuran-2-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide?
1-[(4,5-dimethylfuran-2-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethylfuran-2-yl)methyl]-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 24818915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).