ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate

C18H26N2O4 — CID 110762169

IUPACethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(OCC)c(C)c2)CC1
InChIInChI=1S/C18H26N2O4/c1-4-23-16-7-6-14(12-13(16)3)17(21)19-15-8-10-20(11-9-15)18(22)24-5-2/h6-7,12,15H,4-5,8-11H2,1-3H3,(H,19,21)
InChIKeyHALNJNFGPXMQMG-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.74
Rot. Bonds5

About ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate

ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate (PubChem CID 110762169) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate
PubChem CID110762169
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Nameethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(OCC)c(C)c2)CC1
InChIInChI=1S/C18H26N2O4/c1-4-23-16-7-6-14(12-13(16)3)17(21)19-15-8-10-20(11-9-15)18(22)24-5-2/h6-7,12,15H,4-5,8-11H2,1-3H3,(H,19,21)
InChIKeyHALNJNFGPXMQMG-UHFFFAOYSA-N
XLogP2.74
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
ethyl 4-[(4-methoxy-3-methylsulfonylbenzoyl)amino]piperidine-1-carboxylate
CID 110413308
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559158
ethyl 4-[(4-methoxy-2,5-dimethylbenzoyl)amino]piperidine-1-carboxylate
CID 110761607
ethyl 4-[[2-(3-ethoxy-4-methoxybenzoyl)oxyacetyl]amino]piperidine-1-carboxylate
CID 34870859
ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 17473701
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
ethyl 4-[(6-methoxypyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 31844781
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate (CID 110762169) is ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccc(OCC)c(C)c2)CC1.
What is the InChIKey of ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is HALNJNFGPXMQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-4-23-16-7-6-14(12-13(16)3)17(21)19-15-8-10-20(11-9-15)18(22)24-5-2/h6-7,12,15H,4-5,8-11H2,1-3H3,(H,19,21).
What are the key properties of ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 110762169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).