4-(3-methylimidazol-4-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide

C15H22N6O — CID 139018214

IUPAC4-(3-methylimidazol-4-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(c2cncn2C)CC1)c1cn[nH]c1
InChIInChI=1S/C15H22N6O/c1-11(13-7-17-18-8-13)19-15(22)21-5-3-12(4-6-21)14-9-16-10-20(14)2/h7-12H,3-6H2,1-2H3,(H,17,18)(H,19,22)
InChIKeyIVBPXVJWEOEKEF-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.79
Rot. Bonds3

About 4-(3-methylimidazol-4-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide

4-(3-methylimidazol-4-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide (PubChem CID 139018214) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-(3-methylimidazol-4-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methylimidazol-4-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide
PubChem CID139018214
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name4-(3-methylimidazol-4-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(c2cncn2C)CC1)c1cn[nH]c1
InChIInChI=1S/C15H22N6O/c1-11(13-7-17-18-8-13)19-15(22)21-5-3-12(4-6-21)14-9-16-10-20(14)2/h7-12H,3-6H2,1-2H3,(H,17,18)(H,19,22)
InChIKeyIVBPXVJWEOEKEF-UHFFFAOYSA-N
XLogP1.79
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 114159335
2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid
CID 106215532
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 103856925
1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine
CID 103905191
4-[3-[1-(1H-pyrazol-4-yl)ethyl]imidazol-4-yl]piperidine
CID 106212006
2-[(3R,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-1-[4-(3-methylimidazol-4-yl)piperidin-1-yl]ethanone
CID 146111117
4-methyl-1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106215711
N,N-dimethyl-2-[4-[1-(1H-pyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide
CID 103905211
4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114159493
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-(3-methylimidazol-4-yl)piperidine-1-carboxamide
CID 138010017
2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114158369
(2S)-N-[1-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 106212913

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylimidazol-4-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(3-methylimidazol-4-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide (CID 139018214) is 4-(3-methylimidazol-4-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-methylimidazol-4-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(3-methylimidazol-4-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide is CC(NC(=O)N1CCC(c2cncn2C)CC1)c1cn[nH]c1.
What is the InChIKey of 4-(3-methylimidazol-4-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is IVBPXVJWEOEKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-11(13-7-17-18-8-13)19-15(22)21-5-3-12(4-6-21)14-9-16-10-20(14)2/h7-12H,3-6H2,1-2H3,(H,17,18)(H,19,22).
What are the key properties of 4-(3-methylimidazol-4-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide?
4-(3-methylimidazol-4-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylimidazol-4-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 139018214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).