ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate

C17H24N2O4 — CID 31542192

IUPACethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(OCC)cc2)CC1
InChIInChI=1S/C17H24N2O4/c1-3-22-15-7-5-13(6-8-15)16(20)18-14-9-11-19(12-10-14)17(21)23-4-2/h5-8,14H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyIPBHDFURIRCFRA-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.44
Rot. Bonds5

About ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate

ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate (PubChem CID 31542192) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
PubChem CID31542192
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nameethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(OCC)cc2)CC1
InChIInChI=1S/C17H24N2O4/c1-3-22-15-7-5-13(6-8-15)16(20)18-14-9-11-19(12-10-14)17(21)23-4-2/h5-8,14H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyIPBHDFURIRCFRA-UHFFFAOYSA-N
XLogP2.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.44
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-benzamidopiperidine-1-carboxylate
CID 18120666
N-cyclohexyl-4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxamide
CID 3676198
ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 17473701
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate
CID 110762169
ethyl 4-[[2-[(2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoyl]oxyacetyl]amino]piperidine-1-carboxylate
CID 34430459
ethyl 4-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]amino]piperidine-1-carboxylate
CID 25378335
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide
CID 108551882
4-ethoxy-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzamide
CID 108551932
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate
CID 47990681

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate (CID 31542192) is ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccc(OCC)cc2)CC1.
What is the InChIKey of ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is IPBHDFURIRCFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-22-15-7-5-13(6-8-15)16(20)18-14-9-11-19(12-10-14)17(21)23-4-2/h5-8,14H,3-4,9-12H2,1-2H3,(H,18,20).
What are the key properties of ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 31542192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).