1-[(4-bromo-3-chlorophenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid

C14H16BrClN2O3 — CID 107614592

IUPAC1-[(4-bromo-3-chlorophenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H16BrClN2O3/c1-14(12(19)20)6-2-3-7-18(14)13(21)17-9-4-5-10(15)11(16)8-9/h4-5,8H,2-3,6-7H2,1H3,(H,17,21)(H,19,20)
InChIKeyHHSSROOJDWDMJG-UHFFFAOYSA-N
MW375.65 g/mol
LogP3.96
Rot. Bonds2

About 1-[(4-bromo-3-chlorophenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid

1-[(4-bromo-3-chlorophenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 107614592) has the molecular formula C14H16BrClN2O3 and a molecular weight of 375.65 g/mol. Its IUPAC name is 1-[(4-bromo-3-chlorophenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-bromo-3-chlorophenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID107614592
Molecular FormulaC14H16BrClN2O3
Molecular Weight375.65 g/mol
Exact Mass374.00
IUPAC Name1-[(4-bromo-3-chlorophenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H16BrClN2O3/c1-14(12(19)20)6-2-3-7-18(14)13(21)17-9-4-5-10(15)11(16)8-9/h4-5,8H,2-3,6-7H2,1H3,(H,17,21)(H,19,20)
InChIKeyHHSSROOJDWDMJG-UHFFFAOYSA-N
XLogP3.96
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.65
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,5-dichloro-4-fluorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 107576434
1-[(2-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597878
1-[(2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65499998
1-[(3-ethynylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597765
2-methyl-1-[(2-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 104597875
1-[(3-bromo-2-methylphenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 107627474
2-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 104597815
1-[(4-bromo-3-chlorophenyl)carbamoyl]azepane-2-carboxylic acid
CID 107614585
1-[(4-bromophenyl)methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597873
N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide
CID 107620276
1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid
CID 104595397
1-(4-bromo-3-methylbenzoyl)-2-methylpyrrolidine-2-carboxylic acid
CID 113396644

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-3-chlorophenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[(4-bromo-3-chlorophenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (CID 107614592) is 1-[(4-bromo-3-chlorophenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-bromo-3-chlorophenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-bromo-3-chlorophenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C(=O)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-[(4-bromo-3-chlorophenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is HHSSROOJDWDMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O3/c1-14(12(19)20)6-2-3-7-18(14)13(21)17-9-4-5-10(15)11(16)8-9/h4-5,8H,2-3,6-7H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(4-bromo-3-chlorophenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
1-[(4-bromo-3-chlorophenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 375.65 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-3-chlorophenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107614592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).