1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

C22H25N5O2 — CID 24794292

IUPAC1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
SMILESCn1cc(CN2CCCC(C(=O)Nc3ccccc3Oc3cccnc3)C2)cn1
InChIInChI=1S/C22H25N5O2/c1-26-14-17(12-24-26)15-27-11-5-6-18(16-27)22(28)25-20-8-2-3-9-21(20)29-19-7-4-10-23-13-19/h2-4,7-10,12-14,18H,5-6,11,15-16H2,1H3,(H,25,28)
InChIKeySLIWKCDBIXQTQH-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.46
Rot. Bonds6

About 1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 24794292) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
PubChem CID24794292
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
SMILESCn1cc(CN2CCCC(C(=O)Nc3ccccc3Oc3cccnc3)C2)cn1
InChIInChI=1S/C22H25N5O2/c1-26-14-17(12-24-26)15-27-11-5-6-18(16-27)22(28)25-20-8-2-3-9-21(20)29-19-7-4-10-23-13-19/h2-4,7-10,12-14,18H,5-6,11,15-16H2,1H3,(H,25,28)
InChIKeySLIWKCDBIXQTQH-UHFFFAOYSA-N
XLogP3.46
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-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 1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (CID 24794292) is 1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is Cn1cc(CN2CCCC(C(=O)Nc3ccccc3Oc3cccnc3)C2)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The InChIKey is SLIWKCDBIXQTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-26-14-17(12-24-26)15-27-11-5-6-18(16-27)22(28)25-20-8-2-3-9-21(20)29-19-7-4-10-23-13-19/h2-4,7-10,12-14,18H,5-6,11,15-16H2,1H3,(H,25,28).
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 24794292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).