ethyl 1-[1-(2-methylpropylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate

C16H29N3O4 — CID 46508264

IUPACethyl 1-[1-(2-methylpropylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C)C(=O)NC(=O)NCC(C)C)CC1
InChIInChI=1S/C16H29N3O4/c1-5-23-15(21)13-6-8-19(9-7-13)12(4)14(20)18-16(22)17-10-11(2)3/h11-13H,5-10H2,1-4H3,(H2,17,18,20,22)
InChIKeyMCLIIXFADXEXDZ-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.13
Rot. Bonds6

About ethyl 1-[1-(2-methylpropylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate

ethyl 1-[1-(2-methylpropylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate (PubChem CID 46508264) has the molecular formula C16H29N3O4 and a molecular weight of 327.43 g/mol. Its IUPAC name is ethyl 1-[1-(2-methylpropylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(2-methylpropylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
PubChem CID46508264
Molecular FormulaC16H29N3O4
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Nameethyl 1-[1-(2-methylpropylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C)C(=O)NC(=O)NCC(C)C)CC1
InChIInChI=1S/C16H29N3O4/c1-5-23-15(21)13-6-8-19(9-7-13)12(4)14(20)18-16(22)17-10-11(2)3/h11-13H,5-10H2,1-4H3,(H2,17,18,20,22)
InChIKeyMCLIIXFADXEXDZ-UHFFFAOYSA-N
XLogP1.13
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(2-methylpropylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(2-methylpropylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate (CID 46508264) is ethyl 1-[1-(2-methylpropylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(2-methylpropylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(2-methylpropylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(C)C(=O)NC(=O)NCC(C)C)CC1.
What is the InChIKey of ethyl 1-[1-(2-methylpropylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The InChIKey is MCLIIXFADXEXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O4/c1-5-23-15(21)13-6-8-19(9-7-13)12(4)14(20)18-16(22)17-10-11(2)3/h11-13H,5-10H2,1-4H3,(H2,17,18,20,22).
What are the key properties of ethyl 1-[1-(2-methylpropylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
ethyl 1-[1-(2-methylpropylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate has a molecular weight of 327.43 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(2-methylpropylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 46508264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).