ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate

C18H26N2O4 — CID 110761607

IUPACethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(C)c(OC)cc2C)CC1
InChIInChI=1S/C18H26N2O4/c1-5-24-18(22)20-8-6-14(7-9-20)19-17(21)15-10-13(3)16(23-4)11-12(15)2/h10-11,14H,5-9H2,1-4H3,(H,19,21)
InChIKeyDWPXMLOAKVSQQY-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.66
Rot. Bonds4

About ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate

ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate (PubChem CID 110761607) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate
PubChem CID110761607
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Nameethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(C)c(OC)cc2C)CC1
InChIInChI=1S/C18H26N2O4/c1-5-24-18(22)20-8-6-14(7-9-20)19-17(21)15-10-13(3)16(23-4)11-12(15)2/h10-11,14H,5-9H2,1-4H3,(H,19,21)
InChIKeyDWPXMLOAKVSQQY-UHFFFAOYSA-N
XLogP2.66
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(4-methoxythiophene-3-carbonyl)amino]piperidine-1-carboxylate
CID 23995478
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate
CID 110762169
ethyl 4-[(2,5-dichlorothiophene-3-carbonyl)amino]piperidine-1-carboxylate
CID 2815508
ethyl 4-[(4-methoxy-3-methylsulfonylbenzoyl)amino]piperidine-1-carboxylate
CID 110413308
ethyl 4-[(6-fluoro-4-methoxy-8-methylquinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 71824056
ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 35308238
ethyl 4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbonyl]amino]piperidine-1-carboxylate
CID 7708936
ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate
CID 110451816
ethyl 4-[(6-methoxypyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 31844781
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559158

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate (CID 110761607) is ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc(C)c(OC)cc2C)CC1.
What is the InChIKey of ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is DWPXMLOAKVSQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-5-24-18(22)20-8-6-14(7-9-20)19-17(21)15-10-13(3)16(23-4)11-12(15)2/h10-11,14H,5-9H2,1-4H3,(H,19,21).
What are the key properties of ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 110761607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).