(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid

C13H14Cl2N2O3 — CID 81125485

IUPAC(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C13H14Cl2N2O3/c14-9-4-10(15)6-11(5-9)16-13(20)17-3-1-2-8(7-17)12(18)19/h4-6,8H,1-3,7H2,(H,16,20)(H,18,19)/t8-/m0/s1
InChIKeyXEZCSXIIDHFTMS-QMMMGPOBSA-N
MW317.17 g/mol
LogP3.32
Rot. Bonds2

About (3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid

(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81125485) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is (3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81125485
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Name(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C13H14Cl2N2O3/c14-9-4-10(15)6-11(5-9)16-13(20)17-3-1-2-8(7-17)12(18)19/h4-6,8H,1-3,7H2,(H,16,20)(H,18,19)/t8-/m0/s1
InChIKeyXEZCSXIIDHFTMS-QMMMGPOBSA-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

1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
(3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120122
1-[(3-bromo-5-chlorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122080164
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid
CID 16774326
(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120293
3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
CID 67082547
N-(3,5-dichlorophenyl)-3-sulfamoylpiperidine-1-carboxamide
CID 103858615
N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide
CID 103774779
(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 107654257
2-[1-[(3-chloro-5-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 107368637
(3S,4S)-N-(3,5-dichlorophenyl)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide
CID 74233056

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid (CID 81125485) is (3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)Nc2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of (3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is XEZCSXIIDHFTMS-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c14-9-4-10(15)6-11(5-9)16-13(20)17-3-1-2-8(7-17)12(18)19/h4-6,8H,1-3,7H2,(H,16,20)(H,18,19)/t8-/m0/s1.
What are the key properties of (3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid?
(3S)-1-[(3,5-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 (3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81125485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).