[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate

C22H31N3O5 — CID 55817828

IUPAC[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate
SMILESCCC(=O)N1CCCC(C(=O)OCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)C1
InChIInChI=1S/C22H31N3O5/c1-4-20(27)25-13-7-8-17(14-25)22(29)30-15-19(26)23-18-11-9-16(10-12-18)21(28)24(5-2)6-3/h9-12,17H,4-8,13-15H2,1-3H3,(H,23,26)
InChIKeyCJEDFUBJJACIGZ-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.30
Rot. Bonds8

About [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate (PubChem CID 55817828) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate.

Molecular Properties

Compound Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate
PubChem CID55817828
Molecular FormulaC22H31N3O5
Molecular Weight417.51 g/mol
Exact Mass417.23
IUPAC Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate
SMILESCCC(=O)N1CCCC(C(=O)OCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)C1
InChIInChI=1S/C22H31N3O5/c1-4-20(27)25-13-7-8-17(14-25)22(29)30-15-19(26)23-18-11-9-16(10-12-18)21(28)24(5-2)6-3/h9-12,17H,4-8,13-15H2,1-3H3,(H,23,26)
InChIKeyCJEDFUBJJACIGZ-UHFFFAOYSA-N
XLogP2.30
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-phenoxyanilino)ethyl] 1-propanoylpiperidine-3-carboxylate
CID 55818110
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 8708975
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7949094
N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527480
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] (3R)-1-propanoylpiperidine-3-carboxylate
CID 51962025
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] (3S)-1-propanoylpiperidine-3-carboxylate
CID 51962024
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426324
N,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54834336
4-[(2-cyclohexylsulfanylacetyl)amino]-N,N-diethylbenzamide
CID 8705826
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoate
CID 55927609
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7957923
methyl 4-[[2-(cyclobutanecarbonyloxy)acetyl]amino]benzoate
CID 8019672

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate?
The IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate (CID 55817828) is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate.
What is the SMILES notation for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate?
The canonical SMILES for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate is CCC(=O)N1CCCC(C(=O)OCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)C1.
What is the InChIKey of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate?
The InChIKey is CJEDFUBJJACIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5/c1-4-20(27)25-13-7-8-17(14-25)22(29)30-15-19(26)23-18-11-9-16(10-12-18)21(28)24(5-2)6-3/h9-12,17H,4-8,13-15H2,1-3H3,(H,23,26).
What are the key properties of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate?
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate has a molecular weight of 417.51 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate is sourced from PubChem (CID 55817828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).