2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid

C15H19BrN2O3 — CID 61010278

IUPAC2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O3/c16-11-4-6-12(7-5-11)17-14(19)10-18-8-2-1-3-13(18)9-15(20)21/h4-7,13H,1-3,8-10H2,(H,17,19)(H,20,21)
InChIKeyUTELJCYIMYPICV-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.72
Rot. Bonds5

About 2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid

2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid (PubChem CID 61010278) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid
PubChem CID61010278
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O3/c16-11-4-6-12(7-5-11)17-14(19)10-18-8-2-1-3-13(18)9-15(20)21/h4-7,13H,1-3,8-10H2,(H,17,19)(H,20,21)
InChIKeyUTELJCYIMYPICV-UHFFFAOYSA-N
XLogP2.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61009845
N-(4-bromophenyl)-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 97078137
N-(4-bromophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655150
2-[1-[2-(3-iodoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61010407
2-(2-acetylpiperidin-1-yl)-N-(4-bromophenyl)acetamide
CID 63844823
2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61370730
2-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61371894
2-[2-(aminomethyl)piperidin-1-yl]-N-phenylacetamide
CID 43186987
2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79611369
N-(3-bromophenyl)-2-[2-(2-oxopropyl)piperidin-1-yl]acetamide
CID 79536734
N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684623
N-(4-acetylphenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 109006395

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid (CID 61010278) is 2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid?
The InChIKey is UTELJCYIMYPICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c16-11-4-6-12(7-5-11)17-14(19)10-18-8-2-1-3-13(18)9-15(20)21/h4-7,13H,1-3,8-10H2,(H,17,19)(H,20,21).
What are the key properties of 2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid?
2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid has a molecular weight of 355.23 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61010278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).