1-(4-chloro-2-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid

C15H18ClNO4 — CID 106741789

IUPAC1-(4-chloro-2-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid
SMILESCOc1cc(Cl)ccc1C(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C15H18ClNO4/c1-9-7-10(15(19)20)5-6-17(9)14(18)12-4-3-11(16)8-13(12)21-2/h3-4,8-10H,5-7H2,1-2H3,(H,19,20)
InChIKeyZHAOTPDWKAIEPE-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.67
Rot. Bonds3

About 1-(4-chloro-2-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid

1-(4-chloro-2-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106741789) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-2-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106741789
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name1-(4-chloro-2-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid
SMILESCOc1cc(Cl)ccc1C(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C15H18ClNO4/c1-9-7-10(15(19)20)5-6-17(9)14(18)12-4-3-11(16)8-13(12)21-2/h3-4,8-10H,5-7H2,1-2H3,(H,19,20)
InChIKeyZHAOTPDWKAIEPE-UHFFFAOYSA-N
XLogP2.67
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63031979
1-(2-hydroxy-4-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741876
1-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741708
1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741867
[2-(2-bromoethyl)piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone
CID 80666287
(4-amino-2-methylpiperidin-1-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115369691
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid
CID 103551811
(4-chloro-2-methoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671460
1-(2-bromobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741861
(4-bromo-2-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 78987496
(4-chloro-2-methoxyphenyl)-(3,5-dimethylcyclohexyl)methanone
CID 114975303

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-chloro-2-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid (CID 106741789) is 1-(4-chloro-2-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-2-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-chloro-2-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid is COc1cc(Cl)ccc1C(=O)N1CCC(C(=O)O)CC1C.
What is the InChIKey of 1-(4-chloro-2-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is ZHAOTPDWKAIEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c1-9-7-10(15(19)20)5-6-17(9)14(18)12-4-3-11(16)8-13(12)21-2/h3-4,8-10H,5-7H2,1-2H3,(H,19,20).
What are the key properties of 1-(4-chloro-2-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid?
1-(4-chloro-2-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 311.76 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxybenzoyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106741789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).