ethyl 4-[(4-methoxypiperidine-4-carbonyl)amino]benzoate

C16H22N2O4 — CID 119672458

IUPACethyl 4-[(4-methoxypiperidine-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2(OC)CCNCC2)cc1
InChIInChI=1S/C16H22N2O4/c1-3-22-14(19)12-4-6-13(7-5-12)18-15(20)16(21-2)8-10-17-11-9-16/h4-7,17H,3,8-11H2,1-2H3,(H,18,20)
InChIKeyZIKFCHHXDLQTKB-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.57
Rot. Bonds5

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

ethyl 4-[(4-methoxypiperidine-4-carbonyl)amino]benzoate (PubChem CID 119672458) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is ethyl 4-[(4-methoxypiperidine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-methoxypiperidine-4-carbonyl)amino]benzoate
PubChem CID119672458
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Nameethyl 4-[(4-methoxypiperidine-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2(OC)CCNCC2)cc1
InChIInChI=1S/C16H22N2O4/c1-3-22-14(19)12-4-6-13(7-5-12)18-15(20)16(21-2)8-10-17-11-9-16/h4-7,17H,3,8-11H2,1-2H3,(H,18,20)
InChIKeyZIKFCHHXDLQTKB-UHFFFAOYSA-N
XLogP1.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride
CID 119746522
ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride
CID 120616304
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
4-methoxy-N-[4-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 119739010
ethyl 4-[(3-ethylpyrrolidine-3-carbonyl)amino]benzoate
CID 63141450
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
4-methoxy-N-[4-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 119756449
4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119700736
4-methoxy-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119672814
N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
ethyl 4-[[1-[(4-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108980918

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methoxypiperidine-4-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(4-methoxypiperidine-4-carbonyl)amino]benzoate (CID 119672458) is ethyl 4-[(4-methoxypiperidine-4-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(4-methoxypiperidine-4-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(4-methoxypiperidine-4-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2(OC)CCNCC2)cc1.
What is the InChIKey of ethyl 4-[(4-methoxypiperidine-4-carbonyl)amino]benzoate?
The InChIKey is ZIKFCHHXDLQTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-22-14(19)12-4-6-13(7-5-12)18-15(20)16(21-2)8-10-17-11-9-16/h4-7,17H,3,8-11H2,1-2H3,(H,18,20).
What are the key properties of ethyl 4-[(4-methoxypiperidine-4-carbonyl)amino]benzoate?
ethyl 4-[(4-methoxypiperidine-4-carbonyl)amino]benzoate has a molecular weight of 306.36 g/mol, XLogP of 1.57, 5 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]benzoate is sourced from PubChem (CID 119672458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).