[4-[(1-phenyl-2-pyrazol-1-ylethyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone

C21H24N6O — CID 131952112

IUPAC[4-[(1-phenyl-2-pyrazol-1-ylethyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(NC(Cn2cccn2)c2ccccc2)CC1
InChIInChI=1S/C21H24N6O/c28-21(19-15-22-10-11-23-19)26-13-7-18(8-14-26)25-20(16-27-12-4-9-24-27)17-5-2-1-3-6-17/h1-6,9-12,15,18,20,25H,7-8,13-14,16H2
InChIKeyPIRGTHMWLGXUNZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.31
Rot. Bonds6

About [4-[(1-phenyl-2-pyrazol-1-ylethyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone

[4-[(1-phenyl-2-pyrazol-1-ylethyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 131952112) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-[(1-phenyl-2-pyrazol-1-ylethyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(1-phenyl-2-pyrazol-1-ylethyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID131952112
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name[4-[(1-phenyl-2-pyrazol-1-ylethyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(NC(Cn2cccn2)c2ccccc2)CC1
InChIInChI=1S/C21H24N6O/c28-21(19-15-22-10-11-23-19)26-13-7-18(8-14-26)25-20(16-27-12-4-9-24-27)17-5-2-1-3-6-17/h1-6,9-12,15,18,20,25H,7-8,13-14,16H2
InChIKeyPIRGTHMWLGXUNZ-UHFFFAOYSA-N
XLogP2.31
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 99702778
2-hydroxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108551435
N-(1-phenyl-2-pyrazol-1-ylethyl)-1,4-dithiepan-6-amine
CID 131946378
2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821271
5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 138001709
pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107441
[4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 53150710
2,2-diphenyl-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108544412
4-ethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566859
3-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 108566868
N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821254
2,2-dimethyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]propanamide
CID 110821253

Frequently Asked Questions

What is the IUPAC name of [4-[(1-phenyl-2-pyrazol-1-ylethyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[(1-phenyl-2-pyrazol-1-ylethyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 131952112) is [4-[(1-phenyl-2-pyrazol-1-ylethyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[(1-phenyl-2-pyrazol-1-ylethyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[(1-phenyl-2-pyrazol-1-ylethyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC(NC(Cn2cccn2)c2ccccc2)CC1.
What is the InChIKey of [4-[(1-phenyl-2-pyrazol-1-ylethyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is PIRGTHMWLGXUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c28-21(19-15-22-10-11-23-19)26-13-7-18(8-14-26)25-20(16-27-12-4-9-24-27)17-5-2-1-3-6-17/h1-6,9-12,15,18,20,25H,7-8,13-14,16H2.
What are the key properties of [4-[(1-phenyl-2-pyrazol-1-ylethyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[(1-phenyl-2-pyrazol-1-ylethyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 376.46 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-phenyl-2-pyrazol-1-ylethyl)amino]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 131952112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).