ethyl 4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate

C18H31N3O4 — CID 32886385

IUPACethyl 4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C18H31N3O4/c1-4-25-18(24)21-11-7-15(8-12-21)19-16(22)14-5-9-20(10-6-14)17(23)13(2)3/h13-15H,4-12H2,1-3H3,(H,19,22)
InChIKeyWDDSJIQJADSQIB-UHFFFAOYSA-N
MW353.46 g/mol
LogP1.62
Rot. Bonds4

About ethyl 4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 32886385) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is ethyl 4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
PubChem CID32886385
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Nameethyl 4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C18H31N3O4/c1-4-25-18(24)21-11-7-15(8-12-21)19-16(22)14-5-9-20(10-6-14)17(23)13(2)3/h13-15H,4-12H2,1-3H3,(H,19,22)
InChIKeyWDDSJIQJADSQIB-UHFFFAOYSA-N
XLogP1.62
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate (CID 32886385) is ethyl 4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CCN(C(=O)C(C)C)CC2)CC1.
What is the InChIKey of ethyl 4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is WDDSJIQJADSQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-4-25-18(24)21-11-7-15(8-12-21)19-16(22)14-5-9-20(10-6-14)17(23)13(2)3/h13-15H,4-12H2,1-3H3,(H,19,22).
What are the key properties of ethyl 4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 353.46 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 32886385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).