2-[2-[2-(4-benzhydrylpiperidin-1-yl)ethylamino]-2-oxoethoxy]acetic acid;hydrobromide

C24H31BrN2O4 — CID 20558882

IUPAC2-[2-[2-(4-benzhydrylpiperidin-1-yl)ethylamino]-2-oxoethoxy]acetic acid;hydrobromide
SMILESBr.O=C(O)COCC(=O)NCCN1CCC(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H30N2O4.BrH/c27-22(17-30-18-23(28)29)25-13-16-26-14-11-21(12-15-26)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20;/h1-10,21,24H,11-18H2,(H,25,27)(H,28,29);1H
InChIKeySRQUAIXBWWLCHZ-UHFFFAOYSA-N
MW491.43 g/mol
LogP3.33
Rot. Bonds10

About 2-[2-[2-(4-benzhydrylpiperidin-1-yl)ethylamino]-2-oxoethoxy]acetic acid;hydrobromide

2-[2-[2-(4-benzhydrylpiperidin-1-yl)ethylamino]-2-oxoethoxy]acetic acid;hydrobromide (PubChem CID 20558882) has the molecular formula C24H31BrN2O4 and a molecular weight of 491.43 g/mol. Its IUPAC name is 2-[2-[2-(4-benzhydrylpiperidin-1-yl)ethylamino]-2-oxoethoxy]acetic acid;hydrobromide.

Molecular Properties

Compound Name2-[2-[2-(4-benzhydrylpiperidin-1-yl)ethylamino]-2-oxoethoxy]acetic acid;hydrobromide
PubChem CID20558882
Molecular FormulaC24H31BrN2O4
Molecular Weight491.43 g/mol
Exact Mass490.15
IUPAC Name2-[2-[2-(4-benzhydrylpiperidin-1-yl)ethylamino]-2-oxoethoxy]acetic acid;hydrobromide
SMILESBr.O=C(O)COCC(=O)NCCN1CCC(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H30N2O4.BrH/c27-22(17-30-18-23(28)29)25-13-16-26-14-11-21(12-15-26)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20;/h1-10,21,24H,11-18H2,(H,25,27)(H,28,29);1H
InChIKeySRQUAIXBWWLCHZ-UHFFFAOYSA-N
XLogP3.33
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[2-(4-benzhydrylpiperidin-1-yl)ethylamino]-2-oxoethoxy]acetic acid;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

magnesium bis(2-[2-[6-[4-[bis(4-chlorophenyl)methyl]piperidin-1-yl]hexylamino]-2-oxoethoxy]acetate)
CID 88769876
2-[2-[2-(azepan-1-yl)ethylamino]-2-oxoethoxy]acetic acid
CID 53211349
2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 59104361
ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane
CID 158654311
4-(4-benzhydrylpiperidin-1-yl)butan-1-amine
CID 21192630
4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol
CID 19937449
magnesium;[2-[6-[4-[bis(4-chlorophenyl)methyl]piperidin-1-yl]hexylamino]-2-oxoethyl] acetate;hydride
CID 173439196
2-(4-benzhydrylpiperidin-1-yl)-N-cyclopentylacetamide;methane
CID 162078080
N-[2-(4-benzhydrylpiperidin-1-yl)ethyl]-2-pyridin-3-yl-1,3-thiazolidine-2-carboxamide
CID 19370333
2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 61241452
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 61241817
N-(2-ethoxyethyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 111974919

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-benzhydrylpiperidin-1-yl)ethylamino]-2-oxoethoxy]acetic acid;hydrobromide?
The IUPAC name of 2-[2-[2-(4-benzhydrylpiperidin-1-yl)ethylamino]-2-oxoethoxy]acetic acid;hydrobromide (CID 20558882) is 2-[2-[2-(4-benzhydrylpiperidin-1-yl)ethylamino]-2-oxoethoxy]acetic acid;hydrobromide.
What is the SMILES notation for 2-[2-[2-(4-benzhydrylpiperidin-1-yl)ethylamino]-2-oxoethoxy]acetic acid;hydrobromide?
The canonical SMILES for 2-[2-[2-(4-benzhydrylpiperidin-1-yl)ethylamino]-2-oxoethoxy]acetic acid;hydrobromide is Br.O=C(O)COCC(=O)NCCN1CCC(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[2-[2-(4-benzhydrylpiperidin-1-yl)ethylamino]-2-oxoethoxy]acetic acid;hydrobromide?
The InChIKey is SRQUAIXBWWLCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4.BrH/c27-22(17-30-18-23(28)29)25-13-16-26-14-11-21(12-15-26)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20;/h1-10,21,24H,11-18H2,(H,25,27)(H,28,29);1H.
What are the key properties of 2-[2-[2-(4-benzhydrylpiperidin-1-yl)ethylamino]-2-oxoethoxy]acetic acid;hydrobromide?
2-[2-[2-(4-benzhydrylpiperidin-1-yl)ethylamino]-2-oxoethoxy]acetic acid;hydrobromide has a molecular weight of 491.43 g/mol, XLogP of 3.33, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-benzhydrylpiperidin-1-yl)ethylamino]-2-oxoethoxy]acetic acid;hydrobromide is sourced from PubChem (CID 20558882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).