4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl chloride

C15H18ClNO4 — CID 18914181

IUPAC4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl chloride
SMILESCOc1cc(OC2CCN(C(C)=O)CC2)ccc1C(=O)Cl
InChIInChI=1S/C15H18ClNO4/c1-10(18)17-7-5-11(6-8-17)21-12-3-4-13(15(16)19)14(9-12)20-2/h3-4,9,11H,5-8H2,1-2H3
InChIKeyRTNYYMZBIKYUCM-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.46
Rot. Bonds4

About 4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl chloride

4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl chloride (PubChem CID 18914181) has the molecular formula C15H18ClNO4 and a molecular weight of 311.77 g/mol. Its IUPAC name is 4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl chloride.

Molecular Properties

Compound Name4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl chloride
PubChem CID18914181
Molecular FormulaC15H18ClNO4
Molecular Weight311.77 g/mol
Exact Mass311.09
IUPAC Name4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl chloride
SMILESCOc1cc(OC2CCN(C(C)=O)CC2)ccc1C(=O)Cl
InChIInChI=1S/C15H18ClNO4/c1-10(18)17-7-5-11(6-8-17)21-12-3-4-13(15(16)19)14(9-12)20-2/h3-4,9,11H,5-8H2,1-2H3
InChIKeyRTNYYMZBIKYUCM-UHFFFAOYSA-N
XLogP2.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxybenzoic acid
CID 10545874
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
tert-butyl 4-[4-[1,3-didiazo-3-[2-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]-2-oxopropyl]-3-methoxyphenoxy]piperidine-1-carboxylate
CID 54050193
[4-(4-chlorophenoxy)piperidin-1-yl]-[4-(dimethylamino)-2-methoxyphenyl]methanone
CID 166338888
4-(3-methoxy-4-nitrophenoxy)piperidine-1-carboxylic acid
CID 156749027
4-(1-acetylpiperidin-4-yl)oxybenzaldehyde
CID 23087524
2-[2-methoxy-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]acetic acid
CID 18914169
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673
(4-amino-5-chloro-2-methoxyphenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725126
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
2-chloro-4-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 55153382

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl chloride?
The IUPAC name of 4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl chloride (CID 18914181) is 4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl chloride.
What is the SMILES notation for 4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl chloride?
The canonical SMILES for 4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl chloride is COc1cc(OC2CCN(C(C)=O)CC2)ccc1C(=O)Cl.
What is the InChIKey of 4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl chloride?
The InChIKey is RTNYYMZBIKYUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-10(18)17-7-5-11(6-8-17)21-12-3-4-13(15(16)19)14(9-12)20-2/h3-4,9,11H,5-8H2,1-2H3.
What are the key properties of 4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl chloride?
4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl chloride has a molecular weight of 311.77 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl chloride is sourced from PubChem (CID 18914181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).