1-(2-imidazol-1-ylacetyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide

C20H22N6O2 — CID 72847310

IUPAC1-(2-imidazol-1-ylacetyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccn[nH]2)cc1)C1CCCN(C(=O)Cn2ccnc2)C1
InChIInChI=1S/C20H22N6O2/c27-19(13-25-11-9-21-14-25)26-10-1-2-16(12-26)20(28)23-17-5-3-15(4-6-17)18-7-8-22-24-18/h3-9,11,14,16H,1-2,10,12-13H2,(H,22,24)(H,23,28)
InChIKeyHNWHOCFDWSHNFM-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.15
Rot. Bonds5

About 1-(2-imidazol-1-ylacetyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide

1-(2-imidazol-1-ylacetyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide (PubChem CID 72847310) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylacetyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-imidazol-1-ylacetyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
PubChem CID72847310
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name1-(2-imidazol-1-ylacetyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccn[nH]2)cc1)C1CCCN(C(=O)Cn2ccnc2)C1
InChIInChI=1S/C20H22N6O2/c27-19(13-25-11-9-21-14-25)26-10-1-2-16(12-26)20(28)23-17-5-3-15(4-6-17)18-7-8-22-24-18/h3-9,11,14,16H,1-2,10,12-13H2,(H,22,24)(H,23,28)
InChIKeyHNWHOCFDWSHNFM-UHFFFAOYSA-N
XLogP2.15
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-imidazol-1-ylacetyl)-N-[4-(1H-pyrazol-5-yl)phenyl]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

Related Compounds

(3R)-1-[(4-acetamidophenyl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 42519609
1-[(5-methylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 70769405
N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 43713244
N-[4-(1H-pyrazol-5-yl)phenyl]-1-[(3-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 45195369
1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 45229387
3-amino-N-[4-(1H-pyrazol-5-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119399799
N-[3-(imidazol-1-ylmethyl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 47043133
2-imidazol-1-yl-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 124983601
1-(6-imidazol-1-ylpyrimidin-4-yl)-N-[4-(1H-pyrazol-5-yl)phenyl]azetidine-3-carboxamide
CID 122161194
2-[3-[[4-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 72911802
N-(2-imidazol-1-ylethyl)-N'-[4-(1H-pyrazol-5-yl)phenyl]oxamide
CID 75443494
N-[4-(1,3-thiazol-4-yl)phenyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide
CID 45217471

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylacetyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-imidazol-1-ylacetyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide (CID 72847310) is 1-(2-imidazol-1-ylacetyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-imidazol-1-ylacetyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-imidazol-1-ylacetyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(-c2ccn[nH]2)cc1)C1CCCN(C(=O)Cn2ccnc2)C1.
What is the InChIKey of 1-(2-imidazol-1-ylacetyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is HNWHOCFDWSHNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c27-19(13-25-11-9-21-14-25)26-10-1-2-16(12-26)20(28)23-17-5-3-15(4-6-17)18-7-8-22-24-18/h3-9,11,14,16H,1-2,10,12-13H2,(H,22,24)(H,23,28).
What are the key properties of 1-(2-imidazol-1-ylacetyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide?
1-(2-imidazol-1-ylacetyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylacetyl)-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 72847310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).