[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone

C18H22ClN3O3 — CID 139010957

IUPAC[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone
SMILESCOCCn1ccc(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)n1
InChIInChI=1S/C18H22ClN3O3/c1-25-13-12-22-9-6-16(20-22)17(23)21-10-7-18(24,8-11-21)14-4-2-3-5-15(14)19/h2-6,9,24H,7-8,10-13H2,1H3
InChIKeyZQGFSSPVDIZANS-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.31
Rot. Bonds5

About [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone

[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone (PubChem CID 139010957) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone
PubChem CID139010957
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone
SMILESCOCCn1ccc(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)n1
InChIInChI=1S/C18H22ClN3O3/c1-25-13-12-22-9-6-16(20-22)17(23)21-10-7-18(24,8-11-21)14-4-2-3-5-15(14)19/h2-6,9,24H,7-8,10-13H2,1H3
InChIKeyZQGFSSPVDIZANS-UHFFFAOYSA-N
XLogP2.31
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-methoxyethyl)pyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124622210
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-phenylmethanone
CID 174762267
1'-(1-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914358
tert-butyl 3-(2-chlorophenyl)-3-hydroxypyrrolidine-1-carboxylate
CID 170985255
4-(2-chlorophenyl)-4-hydroxy-N-[(2S,3S)-3-methoxybutan-2-yl]piperidine-1-carboxamide
CID 99836702
[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone
CID 131669189
[1-(2-methoxyethyl)pyrazol-3-yl]-[(3S)-3-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone
CID 124619981
(4-phenylpiperazin-1-yl)-(1-propylpyrazol-3-yl)methanone
CID 35325179
1-[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 99836237
[1-(2-methoxyethyl)pyrazol-3-yl]-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131692536
N-[2-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]phenyl]-1-methylpyrazole-3-carboxamide
CID 110244989
[1-(2-fluoroethyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 154882392

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone?
The IUPAC name of [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone (CID 139010957) is [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone?
The canonical SMILES for [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone is COCCn1ccc(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)n1.
What is the InChIKey of [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone?
The InChIKey is ZQGFSSPVDIZANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-25-13-12-22-9-6-16(20-22)17(23)21-10-7-18(24,8-11-21)14-4-2-3-5-15(14)19/h2-6,9,24H,7-8,10-13H2,1H3.
What are the key properties of [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone?
[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone has a molecular weight of 363.85 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 139010957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).