1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one

C15H18ClNO3 — CID 79549622

IUPAC1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C15H18ClNO3/c1-10(18)8-12-4-2-3-7-17(12)15(20)11-5-6-14(19)13(16)9-11/h5-6,9,12,19H,2-4,7-8H2,1H3
InChIKeyUITQXYVSXYGEEY-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.02
Rot. Bonds3

About 1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one

1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one (PubChem CID 79549622) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one
PubChem CID79549622
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one
SMILESCC(=O)CC1CCCCN1C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C15H18ClNO3/c1-10(18)8-12-4-2-3-7-17(12)15(20)11-5-6-14(19)13(16)9-11/h5-6,9,12,19H,2-4,7-8H2,1H3
InChIKeyUITQXYVSXYGEEY-UHFFFAOYSA-N
XLogP3.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83055938
1-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propan-2-one
CID 79549380
1-[1-(3-hydroxybenzoyl)azepan-2-yl]propan-2-one
CID 79553762
1-[1-(3-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 79549536
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
1-[1-(3,5-dichlorobenzoyl)pyrrolidin-2-yl]propan-2-one
CID 79541789
1-[1-(4-bromo-3-fluorobenzoyl)azepan-2-yl]propan-2-one
CID 79540685
1-[1-(naphthalene-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79538788
1-[1-(4-ethylbenzoyl)azepan-2-yl]propan-2-one
CID 79540812
1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 106861332
1-[1-(2,6-dihydroxybenzoyl)azepan-2-yl]propan-2-one
CID 107688771
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-chloro-4-hydroxyphenyl)methanone
CID 43422703

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one?
The IUPAC name of 1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one (CID 79549622) is 1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one.
What is the SMILES notation for 1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one?
The canonical SMILES for 1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one is CC(=O)CC1CCCCN1C(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one?
The InChIKey is UITQXYVSXYGEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-10(18)8-12-4-2-3-7-17(12)15(20)11-5-6-14(19)13(16)9-11/h5-6,9,12,19H,2-4,7-8H2,1H3.
What are the key properties of 1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one?
1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one has a molecular weight of 295.77 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one is sourced from PubChem (CID 79549622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).