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

C16H19N3O3 — CID 17473701

IUPACethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H19N3O3/c1-2-22-16(21)19-9-7-14(8-10-19)18-15(20)13-5-3-12(11-17)4-6-13/h3-6,14H,2,7-10H2,1H3,(H,18,20)
InChIKeyWAFWLWWPLCKLII-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.91
Rot. Bonds3

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

ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate (PubChem CID 17473701) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
PubChem CID17473701
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Nameethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H19N3O3/c1-2-22-16(21)19-9-7-14(8-10-19)18-15(20)13-5-3-12(11-17)4-6-13/h3-6,14H,2,7-10H2,1H3,(H,18,20)
InChIKeyWAFWLWWPLCKLII-UHFFFAOYSA-N
XLogP1.91
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.91
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
N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
CID 17463259
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097
ethyl 4-[[3-(4-cyanoanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950286
ethyl 4-[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]piperidine-1-carboxylate
CID 55739746
ethyl 4-[[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]amino]piperidine-1-carboxylate
CID 55457022
ethyl 4-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]piperidine-1-carboxylate
CID 31843166
ethyl 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]piperidine-1-carboxylate
CID 31542255
ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate
CID 67435574
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-cyanobenzamide
CID 24674040

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate (CID 17473701) is ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccc(C#N)cc2)CC1.
What is the InChIKey of ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is WAFWLWWPLCKLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-22-16(21)19-9-7-14(8-10-19)18-15(20)13-5-3-12(11-17)4-6-13/h3-6,14H,2,7-10H2,1H3,(H,18,20).
What are the key properties of ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 17473701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).