1-(2,5-dichlorobenzoyl)-4-methylpiperidine-2-carboxylic acid

C14H15Cl2NO3 — CID 114421356

IUPAC1-(2,5-dichlorobenzoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2cc(Cl)ccc2Cl)C(C(=O)O)C1
InChIInChI=1S/C14H15Cl2NO3/c1-8-4-5-17(12(6-8)14(19)20)13(18)10-7-9(15)2-3-11(10)16/h2-3,7-8,12H,4-6H2,1H3,(H,19,20)
InChIKeyPKMDDIQPLNBJLL-UHFFFAOYSA-N
MW316.18 g/mol
LogP3.32
Rot. Bonds2

About 1-(2,5-dichlorobenzoyl)-4-methylpiperidine-2-carboxylic acid

1-(2,5-dichlorobenzoyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114421356) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is 1-(2,5-dichlorobenzoyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dichlorobenzoyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114421356
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name1-(2,5-dichlorobenzoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2cc(Cl)ccc2Cl)C(C(=O)O)C1
InChIInChI=1S/C14H15Cl2NO3/c1-8-4-5-17(12(6-8)14(19)20)13(18)10-7-9(15)2-3-11(10)16/h2-3,7-8,12H,4-6H2,1H3,(H,19,20)
InChIKeyPKMDDIQPLNBJLL-UHFFFAOYSA-N
XLogP3.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421066
1-(2-chloro-4,5-difluorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421364
1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421672
1-(4-amino-2-fluorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 103871145
1-[(4-chloro-2-iodophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 107628481
1-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114421311
1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426468
4-methyl-1-(2,4,6-trimethylbenzoyl)piperidine-2-carboxylic acid
CID 114421816
1-[(3,5-dichlorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425149
(2R,4R)-1-(5-chloro-2-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 82883948
1-(2,4-dichlorobenzoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775267
1-[(2-chloro-6-fluorophenyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114426059

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorobenzoyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2,5-dichlorobenzoyl)-4-methylpiperidine-2-carboxylic acid (CID 114421356) is 1-(2,5-dichlorobenzoyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,5-dichlorobenzoyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,5-dichlorobenzoyl)-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)c2cc(Cl)ccc2Cl)C(C(=O)O)C1.
What is the InChIKey of 1-(2,5-dichlorobenzoyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is PKMDDIQPLNBJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c1-8-4-5-17(12(6-8)14(19)20)13(18)10-7-9(15)2-3-11(10)16/h2-3,7-8,12H,4-6H2,1H3,(H,19,20).
What are the key properties of 1-(2,5-dichlorobenzoyl)-4-methylpiperidine-2-carboxylic acid?
1-(2,5-dichlorobenzoyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 316.18 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorobenzoyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114421356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).