N-[(4-imidazol-1-ylphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide

C19H22N6O — CID 166197984

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C19H22N6O/c26-19(24-10-1-2-16(13-24)18-7-8-22-23-18)21-12-15-3-5-17(6-4-15)25-11-9-20-14-25/h3-9,11,14,16H,1-2,10,12-13H2,(H,21,26)(H,22,23)
InChIKeyFFXKMIRMGYQVRE-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.68
Rot. Bonds4

About N-[(4-imidazol-1-ylphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide

N-[(4-imidazol-1-ylphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 166197984) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID166197984
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C19H22N6O/c26-19(24-10-1-2-16(13-24)18-7-8-22-23-18)21-12-15-3-5-17(6-4-15)25-11-9-20-14-25/h3-9,11,14,16H,1-2,10,12-13H2,(H,21,26)(H,22,23)
InChIKeyFFXKMIRMGYQVRE-UHFFFAOYSA-N
XLogP2.68
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166186970
2-cyclopentyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide
CID 71884444
3-imidazol-1-yl-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124966328
(3R)-3-(1H-pyrazol-5-yl)-N-[4-(triazol-1-yl)phenyl]piperidine-1-carboxamide
CID 124562913
[1-(imidazol-1-ylmethyl)cyclopropyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 131938482
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 125012670
(3R)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 124615298
N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166207366
3-(hydroxymethyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 47016169
(3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 95845269

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 166197984) is N-[(4-imidazol-1-ylphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide is O=C(NCc1ccc(-n2ccnc2)cc1)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is FFXKMIRMGYQVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c26-19(24-10-1-2-16(13-24)18-7-8-22-23-18)21-12-15-3-5-17(6-4-15)25-11-9-20-14-25/h3-9,11,14,16H,1-2,10,12-13H2,(H,21,26)(H,22,23).
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide?
N-[(4-imidazol-1-ylphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 166197984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).