2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid

C19H24BrNO3 — CID 119177843

IUPAC2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2(c3ccc(Br)cc3)CCCC2)CC1
InChIInChI=1S/C19H24BrNO3/c20-16-5-3-15(4-6-16)19(9-1-2-10-19)18(24)21-11-7-14(8-12-21)13-17(22)23/h3-6,14H,1-2,7-13H2,(H,22,23)
InChIKeyZYUXNKOJOSYYBO-UHFFFAOYSA-N
MW394.31 g/mol
LogP3.97
Rot. Bonds4

About 2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid

2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid (PubChem CID 119177843) has the molecular formula C19H24BrNO3 and a molecular weight of 394.31 g/mol. Its IUPAC name is 2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid
PubChem CID119177843
Molecular FormulaC19H24BrNO3
Molecular Weight394.31 g/mol
Exact Mass393.09
IUPAC Name2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2(c3ccc(Br)cc3)CCCC2)CC1
InChIInChI=1S/C19H24BrNO3/c20-16-5-3-15(4-6-16)19(9-1-2-10-19)18(24)21-11-7-14(8-12-21)13-17(22)23/h3-6,14H,1-2,7-13H2,(H,22,23)
InChIKeyZYUXNKOJOSYYBO-UHFFFAOYSA-N
XLogP3.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[1-(4-bromophenyl)cyclobutanecarbonyl]piperazin-1-yl]-2-cyclopentylethanone
CID 55566412
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone
CID 119375691
[1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone
CID 55555458
[1-(4-bromophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562761
azepan-1-yl-[1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidin-4-yl]methanone
CID 55554449
(4-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclopropyl]methanone;hydrochloride
CID 119375609
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-bromophenyl)cyclopentyl]methanone;hydrochloride
CID 119519076
[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 60715919
(3-aminopiperidin-1-yl)-[1-(4-bromophenyl)cyclobutyl]methanone;hydrochloride
CID 119380404
1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid
CID 119167254
1-[1-(4-bromophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxamide
CID 71894711
2-[1-[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid
CID 119178178

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid (CID 119177843) is 2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)C2(c3ccc(Br)cc3)CCCC2)CC1.
What is the InChIKey of 2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid?
The InChIKey is ZYUXNKOJOSYYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrNO3/c20-16-5-3-15(4-6-16)19(9-1-2-10-19)18(24)21-11-7-14(8-12-21)13-17(22)23/h3-6,14H,1-2,7-13H2,(H,22,23).
What are the key properties of 2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid?
2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid has a molecular weight of 394.31 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 119177843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).