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

C14H17BrN2O3 — CID 79608695

IUPAC2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C14H17BrN2O3/c15-11-3-1-2-4-12(11)16-14(20)17-7-5-10(6-8-17)9-13(18)19/h1-4,10H,5-9H2,(H,16,20)(H,18,19)
InChIKeyFZYZIRBUEFRCNJ-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.17
Rot. Bonds3

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

2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid (PubChem CID 79608695) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid
PubChem CID79608695
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C14H17BrN2O3/c15-11-3-1-2-4-12(11)16-14(20)17-7-5-10(6-8-17)9-13(18)19/h1-4,10H,5-9H2,(H,16,20)(H,18,19)
InChIKeyFZYZIRBUEFRCNJ-UHFFFAOYSA-N
XLogP3.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318513
2-[1-[(5-bromo-2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79611094
2-[1-[(2-methyl-3-pyridinyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79606453
N-(2-bromophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103489
4-acetyl-N-(2-bromophenyl)piperazine-1-carboxamide
CID 47191929
(3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide
CID 51944008
2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608761
N-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 86986351
2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79610817
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(2-bromophenyl)piperidine-1-carboxamide
CID 53098595
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 53214090
N-(2-bromophenyl)-2-cyclopentylacetamide
CID 24707693

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid (CID 79608695) is 2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)Nc2ccccc2Br)CC1.
What is the InChIKey of 2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid?
The InChIKey is FZYZIRBUEFRCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c15-11-3-1-2-4-12(11)16-14(20)17-7-5-10(6-8-17)9-13(18)19/h1-4,10H,5-9H2,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid?
2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid has a molecular weight of 341.21 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79608695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).