1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid

C17H20BrNO3 — CID 119167254

IUPAC1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C1
InChIInChI=1S/C17H20BrNO3/c18-14-6-4-13(5-7-14)17(8-2-9-17)16(22)19-10-1-3-12(11-19)15(20)21/h4-7,12H,1-3,8-11H2,(H,20,21)
InChIKeyFPKMJULHVHMHCB-UHFFFAOYSA-N
MW366.26 g/mol
LogP3.19
Rot. Bonds3

About 1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid

1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid (PubChem CID 119167254) has the molecular formula C17H20BrNO3 and a molecular weight of 366.26 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid
PubChem CID119167254
Molecular FormulaC17H20BrNO3
Molecular Weight366.26 g/mol
Exact Mass365.06
IUPAC Name1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C1
InChIInChI=1S/C17H20BrNO3/c18-14-6-4-13(5-7-14)17(8-2-9-17)16(22)19-10-1-3-12(11-19)15(20)21/h4-7,12H,1-3,8-11H2,(H,20,21)
InChIKeyFPKMJULHVHMHCB-UHFFFAOYSA-N
XLogP3.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-bromophenyl)oxane-4-carbonyl]piperidine-3-carboxylic acid
CID 119128019
(3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride
CID 119380404
1-[1-(4-bromophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide
CID 71894711
azepan-1-yl-[1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidin-4-yl]methanone
CID 55554449
[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 60715919
1-(4-phenyloxane-4-carbonyl)piperidine-3-carboxylic acid
CID 119128018
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119355153
N-(2-aminoethyl)-1-[1-(4-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide
CID 119481407
N-[1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 55679047
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone
CID 119375691
[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 71876645
2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid
CID 119177843

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid (CID 119167254) is 1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)C2(c3ccc(Br)cc3)CCC2)C1.
What is the InChIKey of 1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid?
The InChIKey is FPKMJULHVHMHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO3/c18-14-6-4-13(5-7-14)17(8-2-9-17)16(22)19-10-1-3-12(11-19)15(20)21/h4-7,12H,1-3,8-11H2,(H,20,21).
What are the key properties of 1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid?
1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid has a molecular weight of 366.26 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119167254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).