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

C13H14Cl2N2O3 — CID 79034954

IUPAC(2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O3/c14-9-5-4-8(7-10(9)15)16-13(20)17-6-2-1-3-11(17)12(18)19/h4-5,7,11H,1-3,6H2,(H,16,20)(H,18,19)/t11-/m1/s1
InChIKeyKYXLCLZQJKZJDQ-LLVKDONJSA-N
MW317.17 g/mol
LogP3.46
Rot. Bonds2

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

(2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 79034954) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is (2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID79034954
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Name(2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H14Cl2N2O3/c14-9-5-4-8(7-10(9)15)16-13(20)17-6-2-1-3-11(17)12(18)19/h4-5,7,11H,1-3,6H2,(H,16,20)(H,18,19)/t11-/m1/s1
InChIKeyKYXLCLZQJKZJDQ-LLVKDONJSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(3,4-dichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61137254
1-[(4-bromo-3-chlorophenyl)carbamoyl]azepane-2-carboxylic acid
CID 107614585
methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate
CID 78915612
1-[(3-chloro-4-methoxyphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61182045
1-[(3,5-dichloro-4-fluorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 107576495
1-[(3,5-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61185284
1-[(3,5-dichloro-4-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 107576464
methyl (2R)-1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536142
1-[(4-iodophenyl)carbamoyl]azepane-2-carboxylic acid
CID 64561737
1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61185440
1-[(3-fluorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 54980760
1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61183509

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid (CID 79034954) is (2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is KYXLCLZQJKZJDQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c14-9-5-4-8(7-10(9)15)16-13(20)17-6-2-1-3-11(17)12(18)19/h4-5,7,11H,1-3,6H2,(H,16,20)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid?
(2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 317.17 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 79034954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).