[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone

C22H23N3O3 — CID 56716769

IUPAC[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone
SMILESO=C(c1c(O)cccc1O)N1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1
InChIInChI=1S/C22H23N3O3/c26-19-7-4-8-20(27)21(19)22(28)25-11-9-16(10-12-25)18-14-17(23-24-18)13-15-5-2-1-3-6-15/h1-8,14,16,26-27H,9-13H2,(H,23,24)
InChIKeyUKTZCEJEDKEQGO-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.43
Rot. Bonds4

About [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone

[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone (PubChem CID 56716769) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone
PubChem CID56716769
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone
SMILESO=C(c1c(O)cccc1O)N1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1
InChIInChI=1S/C22H23N3O3/c26-19-7-4-8-20(27)21(19)22(28)25-11-9-16(10-12-25)18-14-17(23-24-18)13-15-5-2-1-3-6-15/h1-8,14,16,26-27H,9-13H2,(H,23,24)
InChIKeyUKTZCEJEDKEQGO-UHFFFAOYSA-N
XLogP3.43
TPSA89.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 56705721
1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 56717699
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 155501278
[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(5S)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 95228912
[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(3S)-1-ethylpyrrolidin-3-yl]methanone
CID 95206961
3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]piperidin-2-one
CID 56712711
(6R)-6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]-1,3-diazinane-2,4-dione
CID 56705943
1-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118795553
6-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 56714296
3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]oxolan-2-one
CID 171912404
azepan-1-yl-(5-benzyl-1H-pyrazol-3-yl)methanone
CID 169082729
2-[3-[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-1H-pyrazol-5-yl]acetic acid
CID 56710651

Frequently Asked Questions

What is the IUPAC name of [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone?
The IUPAC name of [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone (CID 56716769) is [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone.
What is the SMILES notation for [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone?
The canonical SMILES for [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone is O=C(c1c(O)cccc1O)N1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1.
What is the InChIKey of [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone?
The InChIKey is UKTZCEJEDKEQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-19-7-4-8-20(27)21(19)22(28)25-11-9-16(10-12-25)18-14-17(23-24-18)13-15-5-2-1-3-6-15/h1-8,14,16,26-27H,9-13H2,(H,23,24).
What are the key properties of [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone?
[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone has a molecular weight of 377.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone is sourced from PubChem (CID 56716769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).