2-[1-(2-bromobenzoyl)piperidin-2-yl]acetic acid

C14H16BrNO3 — CID 54899664

IUPAC2-[1-(2-bromobenzoyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)c1ccccc1Br
InChIInChI=1S/C14H16BrNO3/c15-12-7-2-1-6-11(12)14(19)16-8-4-3-5-10(16)9-13(17)18/h1-2,6-7,10H,3-5,8-9H2,(H,17,18)
InChIKeyGYZAVWICTXPQBY-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.92
Rot. Bonds3

About 2-[1-(2-bromobenzoyl)piperidin-2-yl]acetic acid

2-[1-(2-bromobenzoyl)piperidin-2-yl]acetic acid (PubChem CID 54899664) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is 2-[1-(2-bromobenzoyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-bromobenzoyl)piperidin-2-yl]acetic acid
PubChem CID54899664
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Name2-[1-(2-bromobenzoyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)c1ccccc1Br
InChIInChI=1S/C14H16BrNO3/c15-12-7-2-1-6-11(12)14(19)16-8-4-3-5-10(16)9-13(17)18/h1-2,6-7,10H,3-5,8-9H2,(H,17,18)
InChIKeyGYZAVWICTXPQBY-UHFFFAOYSA-N
XLogP2.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromophenyl)-[2-(chloromethyl)azepan-1-yl]methanone
CID 116639241
2-[1-(2-bromo-6-fluorobenzoyl)piperidin-2-yl]acetic acid
CID 114558491
2-[1-(2-bromo-5-methylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 81109714
2-[1-(4-bromobenzoyl)piperidin-2-yl]acetic acid
CID 54899712
2-[1-[(E)-3-(2-bromophenyl)prop-2-enoyl]piperidin-2-yl]acetic acid
CID 61009679
2-[1-(2-nitrobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370258
1-(2-bromobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041349
2-[1-(3-bromo-4-methylbenzoyl)piperidin-2-yl]acetic acid
CID 81470540
2-[1-(5-bromo-2-chlorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370095
2-[1-(4-bromo-2-methylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370883
2-[1-(2,5-dibromothiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 107949088
2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-2-yl]acetic acid
CID 61010246

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromobenzoyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-bromobenzoyl)piperidin-2-yl]acetic acid (CID 54899664) is 2-[1-(2-bromobenzoyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-bromobenzoyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-bromobenzoyl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)c1ccccc1Br.
What is the InChIKey of 2-[1-(2-bromobenzoyl)piperidin-2-yl]acetic acid?
The InChIKey is GYZAVWICTXPQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3/c15-12-7-2-1-6-11(12)14(19)16-8-4-3-5-10(16)9-13(17)18/h1-2,6-7,10H,3-5,8-9H2,(H,17,18).
What are the key properties of 2-[1-(2-bromobenzoyl)piperidin-2-yl]acetic acid?
2-[1-(2-bromobenzoyl)piperidin-2-yl]acetic acid has a molecular weight of 326.19 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromobenzoyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 54899664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).