1-[(3-bromo-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid

C14H17BrN2O4 — CID 82860741

IUPAC1-[(3-bromo-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCOc1cc(Br)cc(NC(=O)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C14H17BrN2O4/c1-21-12-6-10(15)5-11(7-12)16-14(20)17-4-2-3-9(8-17)13(18)19/h5-7,9H,2-4,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyFNWYBGPCSYICMG-UHFFFAOYSA-N
MW357.20 g/mol
LogP2.79
Rot. Bonds3

About 1-[(3-bromo-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid

1-[(3-bromo-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 82860741) has the molecular formula C14H17BrN2O4 and a molecular weight of 357.20 g/mol. Its IUPAC name is 1-[(3-bromo-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-bromo-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID82860741
Molecular FormulaC14H17BrN2O4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name1-[(3-bromo-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCOc1cc(Br)cc(NC(=O)N2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C14H17BrN2O4/c1-21-12-6-10(15)5-11(7-12)16-14(20)17-4-2-3-9(8-17)13(18)19/h5-7,9H,2-4,8H2,1H3,(H,16,20)(H,18,19)
InChIKeyFNWYBGPCSYICMG-UHFFFAOYSA-N
XLogP2.79
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromo-5-methoxyphenyl)carbamoyl]azetidine-3-carboxylic acid
CID 82859262
1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032599
1-[(4-bromo-3-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 82861069
1-[(4-bromo-2,6-dimethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318320
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141
(3R)-1-[(2,4,6-tribromophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81127096
(3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120122
(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125485
1-[(2,4,5-trimethoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087120
1-[(3-bromo-5-chlorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122080164
3-[(3-bromo-5-methoxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551077
(3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 858669

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-bromo-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid (CID 82860741) is 1-[(3-bromo-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-bromo-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-bromo-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid is COc1cc(Br)cc(NC(=O)N2CCCC(C(=O)O)C2)c1.
What is the InChIKey of 1-[(3-bromo-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is FNWYBGPCSYICMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O4/c1-21-12-6-10(15)5-11(7-12)16-14(20)17-4-2-3-9(8-17)13(18)19/h5-7,9H,2-4,8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(3-bromo-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid?
1-[(3-bromo-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 357.20 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 82860741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).