(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid

C13H14Cl2N2O3 — CID 81120293

IUPAC(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C13H14Cl2N2O3/c14-9-3-4-11(10(15)6-9)16-13(20)17-5-1-2-8(7-17)12(18)19/h3-4,6,8H,1-2,5,7H2,(H,16,20)(H,18,19)/t8-/m1/s1
InChIKeyQGKXPTOFANCGGG-MRVPVSSYSA-N
MW317.17 g/mol
LogP3.32
Rot. Bonds2

About (3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid

(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81120293) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is (3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81120293
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Name(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C13H14Cl2N2O3/c14-9-3-4-11(10(15)6-9)16-13(20)17-5-1-2-8(7-17)12(18)19/h3-4,6,8H,1-2,5,7H2,(H,16,20)(H,18,19)/t8-/m1/s1
InChIKeyQGKXPTOFANCGGG-MRVPVSSYSA-N
XLogP3.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854
(3S)-1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121106
1-[(5-chloro-2-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122077985
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125485
1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318390
(3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121037
1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122012056
1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61183509
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
1-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122090594
1-[3-(2,4-dichlorophenyl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122004839

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid (CID 81120293) is (3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of (3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is QGKXPTOFANCGGG-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c14-9-3-4-11(10(15)6-9)16-13(20)17-5-1-2-8(7-17)12(18)19/h3-4,6,8H,1-2,5,7H2,(H,16,20)(H,18,19)/t8-/m1/s1.
What are the key properties of (3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 317.17 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81120293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).