N-(1-benzofuran-3-ylmethyl)-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide

C19H22N4O2 — CID 146132619

IUPACN-(1-benzofuran-3-ylmethyl)-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCn1nccc1C1CCN(C(=O)NCc2coc3ccccc23)CC1
InChIInChI=1S/C19H22N4O2/c1-22-17(6-9-21-22)14-7-10-23(11-8-14)19(24)20-12-15-13-25-18-5-3-2-4-16(15)18/h2-6,9,13-14H,7-8,10-12H2,1H3,(H,20,24)
InChIKeyJGTQKSDEKWGDAG-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.26
Rot. Bonds3

About N-(1-benzofuran-3-ylmethyl)-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide

N-(1-benzofuran-3-ylmethyl)-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide (PubChem CID 146132619) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
PubChem CID146132619
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(1-benzofuran-3-ylmethyl)-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCn1nccc1C1CCN(C(=O)NCc2coc3ccccc23)CC1
InChIInChI=1S/C19H22N4O2/c1-22-17(6-9-21-22)14-7-10-23(11-8-14)19(24)20-12-15-13-25-18-5-3-2-4-16(15)18/h2-6,9,13-14H,7-8,10-12H2,1H3,(H,20,24)
InChIKeyJGTQKSDEKWGDAG-UHFFFAOYSA-N
XLogP3.26
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzofuran-3-ylmethyl)-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-benzofuran-3-ylmethyl)-2-methylpyrazole-3-carboxamide
CID 136525744
4-(2-methylpyrazol-3-yl)-N-[(1S)-1-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 124607053
(2-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 119946982
1-amino-N-(1-benzofuran-3-ylmethyl)cyclopropane-1-carboxamide
CID 115189846
(2R)-3-amino-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one
CID 124696045
3-(2-aminophenyl)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 120612910
N-[(1R)-1-(2,3-difluorophenyl)ethyl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 124603478
N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide
CID 115176895
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 136527189
1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 146132579
N-[(3-methoxyphenyl)methyl]-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
CID 51104314
4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
CID 121115060

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide (CID 146132619) is N-(1-benzofuran-3-ylmethyl)-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide is Cn1nccc1C1CCN(C(=O)NCc2coc3ccccc23)CC1.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide?
The InChIKey is JGTQKSDEKWGDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22-17(6-9-21-22)14-7-10-23(11-8-14)19(24)20-12-15-13-25-18-5-3-2-4-16(15)18/h2-6,9,13-14H,7-8,10-12H2,1H3,(H,20,24).
What are the key properties of N-(1-benzofuran-3-ylmethyl)-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide?
N-(1-benzofuran-3-ylmethyl)-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-4-(2-methylpyrazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 146132619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).