ethyl 4-[acetyl-[2-(3-cyanoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate

C19H24N4O4 — CID 113165761

IUPACethyl 4-[acetyl-[2-(3-cyanoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CC(=O)Nc2cccc(C#N)c2)C(C)=O)CC1
InChIInChI=1S/C19H24N4O4/c1-3-27-19(26)22-9-7-17(8-10-22)23(14(2)24)13-18(25)21-16-6-4-5-15(11-16)12-20/h4-6,11,17H,3,7-10,13H2,1-2H3,(H,21,25)
InChIKeyXKXRATSJUQJHDS-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.97
Rot. Bonds5

About ethyl 4-[acetyl-[2-(3-cyanoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate

ethyl 4-[acetyl-[2-(3-cyanoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate (PubChem CID 113165761) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is ethyl 4-[acetyl-[2-(3-cyanoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[acetyl-[2-(3-cyanoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
PubChem CID113165761
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Nameethyl 4-[acetyl-[2-(3-cyanoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CC(=O)Nc2cccc(C#N)c2)C(C)=O)CC1
InChIInChI=1S/C19H24N4O4/c1-3-27-19(26)22-9-7-17(8-10-22)23(14(2)24)13-18(25)21-16-6-4-5-15(11-16)12-20/h4-6,11,17H,3,7-10,13H2,1-2H3,(H,21,25)
InChIKeyXKXRATSJUQJHDS-UHFFFAOYSA-N
XLogP1.97
TPSA102.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-[(3-cyanophenyl)carbamoyl]-4-pyridinyl]amino]piperidine-1-carboxylate
CID 109215897
N-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299902
2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide
CID 113158090
ethyl (3R)-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8532743
ethyl 4-[[3-(4-cyanoanilino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108950286
N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63164005
2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide
CID 113158289
2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(3-cyanophenyl)acetamide
CID 113177261
3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 60839707
N-(3-cyanophenyl)-2-[methyl-(3-methylsulfanylcyclopentyl)amino]acetamide
CID 71986559
N-(3-cyanophenyl)-2-[methyl-[(1R,3R)-3-methylsulfanylcyclopentyl]amino]acetamide
CID 99107009
N-(3-cyanophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]acetamide
CID 79309474

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[acetyl-[2-(3-cyanoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[acetyl-[2-(3-cyanoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate (CID 113165761) is ethyl 4-[acetyl-[2-(3-cyanoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[acetyl-[2-(3-cyanoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[acetyl-[2-(3-cyanoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N(CC(=O)Nc2cccc(C#N)c2)C(C)=O)CC1.
What is the InChIKey of ethyl 4-[acetyl-[2-(3-cyanoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The InChIKey is XKXRATSJUQJHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-3-27-19(26)22-9-7-17(8-10-22)23(14(2)24)13-18(25)21-16-6-4-5-15(11-16)12-20/h4-6,11,17H,3,7-10,13H2,1-2H3,(H,21,25).
What are the key properties of ethyl 4-[acetyl-[2-(3-cyanoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate?
ethyl 4-[acetyl-[2-(3-cyanoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate has a molecular weight of 372.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[acetyl-[2-(3-cyanoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 113165761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).