ethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride

C17H25ClN2O4 — CID 119746522

IUPACethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(CNC(=O)C2(OC)CCNCC2)cc1.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-3-23-15(20)14-6-4-13(5-7-14)12-19-16(21)17(22-2)8-10-18-11-9-17;/h4-7,18H,3,8-12H2,1-2H3,(H,19,21);1H
InChIKeyQQIZPWWGQNXXCI-UHFFFAOYSA-N
MW356.85 g/mol
LogP1.67
Rot. Bonds6

About ethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride

ethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride (PubChem CID 119746522) has the molecular formula C17H25ClN2O4 and a molecular weight of 356.85 g/mol. Its IUPAC name is ethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride
PubChem CID119746522
Molecular FormulaC17H25ClN2O4
Molecular Weight356.85 g/mol
Exact Mass356.15
IUPAC Nameethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride
SMILESCCOC(=O)c1ccc(CNC(=O)C2(OC)CCNCC2)cc1.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-3-23-15(20)14-6-4-13(5-7-14)12-19-16(21)17(22-2)8-10-18-11-9-17;/h4-7,18H,3,8-12H2,1-2H3,(H,19,21);1H
InChIKeyQQIZPWWGQNXXCI-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119712888
ethyl 4-[(4-methoxypiperidine-4-carbonyl)amino]benzoate
CID 119672458
N-[[4-(ethoxymethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119718289
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
4-methoxy-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 119716391
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119697511
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119714589
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119696231
4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119836245
methyl 4-[[(4-methylpiperidine-4-carbonyl)amino]methyl]benzoate
CID 63122386
4-methoxy-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 119793204
ethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate
CID 119302054

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride?
The IUPAC name of ethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride (CID 119746522) is ethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride.
What is the SMILES notation for ethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride?
The canonical SMILES for ethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride is CCOC(=O)c1ccc(CNC(=O)C2(OC)CCNCC2)cc1.Cl.
What is the InChIKey of ethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride?
The InChIKey is QQIZPWWGQNXXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4.ClH/c1-3-23-15(20)14-6-4-13(5-7-14)12-19-16(21)17(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-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride?
ethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride is sourced from PubChem (CID 119746522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).