ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride

C17H25ClN2O4 — CID 120616304

IUPACethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(NC(=O)C2(COC)CCNCC2)cc1.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-3-23-15(20)13-4-6-14(7-5-13)19-16(21)17(12-22-2)8-10-18-11-9-17;/h4-7,18H,3,8-12H2,1-2H3,(H,19,21);1H
InChIKeyDQUURWBZXJNENK-UHFFFAOYSA-N
MW356.85 g/mol
LogP2.24
Rot. Bonds6

About ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride

ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride (PubChem CID 120616304) has the molecular formula C17H25ClN2O4 and a molecular weight of 356.85 g/mol. Its IUPAC name is ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride
PubChem CID120616304
Molecular FormulaC17H25ClN2O4
Molecular Weight356.85 g/mol
Exact Mass356.15
IUPAC Nameethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(NC(=O)C2(COC)CCNCC2)cc1.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-3-23-15(20)13-4-6-14(7-5-13)19-16(21)17(12-22-2)8-10-18-11-9-17;/h4-7,18H,3,8-12H2,1-2H3,(H,19,21);1H
InChIKeyDQUURWBZXJNENK-UHFFFAOYSA-N
XLogP2.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride 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

N-[4-(ethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621167
ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoate
CID 63141450
ethyl 4-[(4-methoxypiperidine-4-carbonyl)amino]benzoate
CID 119672458
N-[4-(dimethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617739
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120620858
N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617171
N-[4-(cyclopropylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120619359
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
dimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 120616457
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120619522
4-(methoxymethyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120622725
4-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide
CID 120626064

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride?
The IUPAC name of ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride (CID 120616304) is ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride.
What is the SMILES notation for ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride?
The canonical SMILES for ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride is CCOC(=O)c1ccc(NC(=O)C2(COC)CCNCC2)cc1.Cl.
What is the InChIKey of ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride?
The InChIKey is DQUURWBZXJNENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4.ClH/c1-3-23-15(20)13-4-6-14(7-5-13)19-16(21)17(12-22-2)8-10-18-11-9-17;/h4-7,18H,3,8-12H2,1-2H3,(H,19,21);1H.
What are the key properties of ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride?
ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride is sourced from PubChem (CID 120616304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).