ethyl 4-[3-(2-cyanoanilino)propanoylamino]piperidine-1-carboxylate

C18H24N4O3 — CID 109028898

IUPACethyl 4-[3-(2-cyanoanilino)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCNc2ccccc2C#N)CC1
InChIInChI=1S/C18H24N4O3/c1-2-25-18(24)22-11-8-15(9-12-22)21-17(23)7-10-20-16-6-4-3-5-14(16)13-19/h3-6,15,20H,2,7-12H2,1H3,(H,21,23)
InChIKeyCCWXPKILEOUJMZ-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.10
Rot. Bonds6

About ethyl 4-[3-(2-cyanoanilino)propanoylamino]piperidine-1-carboxylate

ethyl 4-[3-(2-cyanoanilino)propanoylamino]piperidine-1-carboxylate (PubChem CID 109028898) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is ethyl 4-[3-(2-cyanoanilino)propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(2-cyanoanilino)propanoylamino]piperidine-1-carboxylate
PubChem CID109028898
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Nameethyl 4-[3-(2-cyanoanilino)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCNc2ccccc2C#N)CC1
InChIInChI=1S/C18H24N4O3/c1-2-25-18(24)22-11-8-15(9-12-22)21-17(23)7-10-20-16-6-4-3-5-14(16)13-19/h3-6,15,20H,2,7-12H2,1H3,(H,21,23)
InChIKeyCCWXPKILEOUJMZ-UHFFFAOYSA-N
XLogP2.10
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028834
ethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028829
ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194079
ethyl 4-[3-(4-tert-butylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028844
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 17473701
ethyl 4-[3-[4-(trifluoromethyl)anilino]propanoylamino]piperidine-1-carboxylate
CID 109028870
ethyl 4-(5-bromo-2-cyanoanilino)piperidine-1-carboxylate
CID 114901382
ethyl 4-[3-[4-(dimethylamino)anilino]propanoylamino]piperidine-1-carboxylate
CID 109028878
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 31844266

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(2-cyanoanilino)propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(2-cyanoanilino)propanoylamino]piperidine-1-carboxylate (CID 109028898) is ethyl 4-[3-(2-cyanoanilino)propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(2-cyanoanilino)propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(2-cyanoanilino)propanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCNc2ccccc2C#N)CC1.
What is the InChIKey of ethyl 4-[3-(2-cyanoanilino)propanoylamino]piperidine-1-carboxylate?
The InChIKey is CCWXPKILEOUJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-25-18(24)22-11-8-15(9-12-22)21-17(23)7-10-20-16-6-4-3-5-14(16)13-19/h3-6,15,20H,2,7-12H2,1H3,(H,21,23).
What are the key properties of ethyl 4-[3-(2-cyanoanilino)propanoylamino]piperidine-1-carboxylate?
ethyl 4-[3-(2-cyanoanilino)propanoylamino]piperidine-1-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(2-cyanoanilino)propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 109028898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).