[5-(4-ethylphenyl)pyrazolidin-3-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone

C22H28N4O2 — CID 74554385

IUPAC[5-(4-ethylphenyl)pyrazolidin-3-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
SMILESCCc1ccc(C2CC(C(=O)N3CCC(O)(c4ccccn4)CC3)NN2)cc1
InChIInChI=1S/C22H28N4O2/c1-2-16-6-8-17(9-7-16)18-15-19(25-24-18)21(27)26-13-10-22(28,11-14-26)20-5-3-4-12-23-20/h3-9,12,18-19,24-25,28H,2,10-11,13-15H2,1H3
InChIKeyULJVRWNELKDJMA-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.06
Rot. Bonds4

About [5-(4-ethylphenyl)pyrazolidin-3-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone

[5-(4-ethylphenyl)pyrazolidin-3-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone (PubChem CID 74554385) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is [5-(4-ethylphenyl)pyrazolidin-3-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-ethylphenyl)pyrazolidin-3-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
PubChem CID74554385
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name[5-(4-ethylphenyl)pyrazolidin-3-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
SMILESCCc1ccc(C2CC(C(=O)N3CCC(O)(c4ccccn4)CC3)NN2)cc1
InChIInChI=1S/C22H28N4O2/c1-2-16-6-8-17(9-7-16)18-15-19(25-24-18)21(27)26-13-10-22(28,11-14-26)20-5-3-4-12-23-20/h3-9,12,18-19,24-25,28H,2,10-11,13-15H2,1H3
InChIKeyULJVRWNELKDJMA-UHFFFAOYSA-N
XLogP2.06
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-2-phenyl-N-(1-pyridin-2-ylmethyl-piperidin-4-yl)-acetamide
CID 10836338
((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidin-3-yl)((3S,4R,5R)-4-hydroxy-3,5-dimethyl-4-(pyridin-2-yl)piperidin-1-yl)methanone
CID 46885815
2-Cyclopentyl-2-hydroxy-2-phenyl-N-(1-pyridin-2-ylmethyl-piperidin-4-yl)-acetamide
CID 11794901
N-[(3R)-1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-5-carboxamide
CID 91970780
5-{3-[4-Hydroxy-4-(5-methylpyridin-2-YL)piperidin-1-YL]-3-oxopropyl}imidazolidine-2,4-dione
CID 56755815
1-[(3R,4R)-3-(dimethylamino)-4-hydroxy-4-phenyltetrahydro-1(2H)-pyridinyl]-2-(3-pyridyl)-1-ethanone
CID 87053335
2-(4-Fluorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
CID 16668074
5-{2-[4-Hydroxy-4-(5-methylpyridin-2-YL)piperidin-1-YL]-2-oxoethyl}-3-propylimidazolidine-2,4-dione
CID 56746556
1-(3-Cyclopentylalanyl)-4-(5-methylpyridin-2-yl)piperidin-4-ol
CID 56750179
1-[3-(Dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-2-pyridin-3-ylethanone
CID 156601777
N-[2-(4-fluorophenyl)ethyl]-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 16674320
N-[(4-fluorophenyl)methyl]-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 16674640

Frequently Asked Questions

What is the IUPAC name of [5-(4-ethylphenyl)pyrazolidin-3-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of [5-(4-ethylphenyl)pyrazolidin-3-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone (CID 74554385) is [5-(4-ethylphenyl)pyrazolidin-3-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(4-ethylphenyl)pyrazolidin-3-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(4-ethylphenyl)pyrazolidin-3-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone is CCc1ccc(C2CC(C(=O)N3CCC(O)(c4ccccn4)CC3)NN2)cc1.
What is the InChIKey of [5-(4-ethylphenyl)pyrazolidin-3-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone?
The InChIKey is ULJVRWNELKDJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-2-16-6-8-17(9-7-16)18-15-19(25-24-18)21(27)26-13-10-22(28,11-14-26)20-5-3-4-12-23-20/h3-9,12,18-19,24-25,28H,2,10-11,13-15H2,1H3.
What are the key properties of [5-(4-ethylphenyl)pyrazolidin-3-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone?
[5-(4-ethylphenyl)pyrazolidin-3-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone has a molecular weight of 380.49 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethylphenyl)pyrazolidin-3-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 74554385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).