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

C23H28N4O2 — CID 24790523

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C3CCN(Cc4ccc(C)o4)CC3)cc2)n1
InChIInChI=1S/C23H28N4O2/c1-16-14-17(2)27(25-16)21-7-5-20(6-8-21)24-23(28)19-10-12-26(13-11-19)15-22-9-4-18(3)29-22/h4-9,14,19H,10-13,15H2,1-3H3,(H,24,28)
InChIKeyRLBMUPQAKWEGKR-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.24
Rot. Bonds5

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

N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 24790523) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
PubChem CID24790523
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C3CCN(Cc4ccc(C)o4)CC3)cc2)n1
InChIInChI=1S/C23H28N4O2/c1-16-14-17(2)27(25-16)21-7-5-20(6-8-21)24-23(28)19-10-12-26(13-11-19)15-22-9-4-18(3)29-22/h4-9,14,19H,10-13,15H2,1-3H3,(H,24,28)
InChIKeyRLBMUPQAKWEGKR-UHFFFAOYSA-N
XLogP4.24
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (CID 24790523) is N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(Cc4ccc(C)o4)CC3)cc2)n1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is RLBMUPQAKWEGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16-14-17(2)27(25-16)21-7-5-20(6-8-21)24-23(28)19-10-12-26(13-11-19)15-22-9-4-18(3)29-22/h4-9,14,19H,10-13,15H2,1-3H3,(H,24,28).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 24790523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).