1,3-dihydroisoindol-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone

C23H24N4O — CID 169094876

IUPAC1,3-dihydroisoindol-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc(-c3cn[nH]c3)cc2)CC1)N1Cc2ccccc2C1
InChIInChI=1S/C23H24N4O/c28-23(27-15-19-3-1-2-4-20(19)16-27)18-9-11-26(12-10-18)22-7-5-17(6-8-22)21-13-24-25-14-21/h1-8,13-14,18H,9-12,15-16H2,(H,24,25)
InChIKeySCIMZAHDNXFVEI-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.84
Rot. Bonds3

About 1,3-dihydroisoindol-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone

1,3-dihydroisoindol-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone (PubChem CID 169094876) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone
PubChem CID169094876
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name1,3-dihydroisoindol-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2ccc(-c3cn[nH]c3)cc2)CC1)N1Cc2ccccc2C1
InChIInChI=1S/C23H24N4O/c28-23(27-15-19-3-1-2-4-20(19)16-27)18-9-11-26(12-10-18)22-7-5-17(6-8-22)21-13-24-25-14-21/h1-8,13-14,18H,9-12,15-16H2,(H,24,25)
InChIKeySCIMZAHDNXFVEI-UHFFFAOYSA-N
XLogP3.84
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxylic acid
CID 69133100
2-azabicyclo[2.2.1]heptan-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone
CID 170170404
cyclopropyl-[4-[4-(1,3-dihydroisoindol-2-yl)phenyl]piperazin-1-yl]methanone
CID 141336827
cyclopentyl-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]methanone
CID 169094718
3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methylsulfonylphenyl)piperidin-4-yl]methanone
CID 171998151
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
1-(1H-pyrazol-4-yl)piperidine-4-carboxylic acid
CID 82647068
N-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 58310850
tert-butyl 4-(1,3-dihydroisoindole-2-carbonyl)piperidine-1-carboxylate
CID 169094693
1'-[4-(1H-pyrazol-4-yl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one
CID 145438955
3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-pyridin-4-ylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30364719
2,3-dihydro-1H-inden-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 112532321

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone (CID 169094876) is 1,3-dihydroisoindol-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone is O=C(C1CCN(c2ccc(-c3cn[nH]c3)cc2)CC1)N1Cc2ccccc2C1.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone?
The InChIKey is SCIMZAHDNXFVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-23(27-15-19-3-1-2-4-20(19)16-27)18-9-11-26(12-10-18)22-7-5-17(6-8-22)21-13-24-25-14-21/h1-8,13-14,18H,9-12,15-16H2,(H,24,25).
What are the key properties of 1,3-dihydroisoindol-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone?
1,3-dihydroisoindol-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone is sourced from PubChem (CID 169094876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).