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

C15H19BrN2O3 — CID 79611369

IUPAC2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(CC(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H19BrN2O3/c16-12-1-3-13(4-2-12)17-14(19)10-18-7-5-11(6-8-18)9-15(20)21/h1-4,11H,5-10H2,(H,17,19)(H,20,21)
InChIKeyYENVKEONIJLADL-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.57
Rot. Bonds5

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

2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid (PubChem CID 79611369) 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-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
PubChem CID79611369
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(CC(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C15H19BrN2O3/c16-12-1-3-13(4-2-12)17-14(19)10-18-7-5-11(6-8-18)9-15(20)21/h1-4,11H,5-10H2,(H,17,19)(H,20,21)
InChIKeyYENVKEONIJLADL-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248697
N-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 55169623
N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916119
2-[1-[2-(3-chloroanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79611325
2-[1-[(4-bromophenyl)methyl]piperidin-4-yl]acetic acid
CID 79606346
2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61010278
N-(4-bromophenyl)-2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetamide
CID 120853962
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 60510320
2-[4-[2-[[4-(4-bromoanilino)quinazolin-7-yl]amino]-2-oxoethyl]-1,7-bis(phosphonomethyl)-1,4,7-triazacyclododec-10-yl]acetic acid
CID 134250245
2-(4-amino-3-ethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide
CID 81459153
methyl 1-[2-(4-bromoanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47286802
N-(4-bromophenyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773243

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid (CID 79611369) is 2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(CC(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid?
The InChIKey is YENVKEONIJLADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c16-12-1-3-13(4-2-12)17-14(19)10-18-7-5-11(6-8-18)9-15(20)21/h1-4,11H,5-10H2,(H,17,19)(H,20,21).
What are the key properties of 2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid?
2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid has a molecular weight of 355.23 g/mol, XLogP of 2.57, 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-4-yl]acetic acid is sourced from PubChem (CID 79611369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).