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

C18H31N3O4 — CID 42996458

IUPACethyl 1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C)C(=O)NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H31N3O4/c1-3-25-17(23)14-9-11-21(12-10-14)13(2)16(22)20-18(24)19-15-7-5-4-6-8-15/h13-15H,3-12H2,1-2H3,(H2,19,20,22,24)
InChIKeyKUSXSMTUOJYJMG-UHFFFAOYSA-N
MW353.46 g/mol
LogP1.81
Rot. Bonds5

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

ethyl 1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate (PubChem CID 42996458) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is ethyl 1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
PubChem CID42996458
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Nameethyl 1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C)C(=O)NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H31N3O4/c1-3-25-17(23)14-9-11-21(12-10-14)13(2)16(22)20-18(24)19-15-7-5-4-6-8-15/h13-15H,3-12H2,1-2H3,(H2,19,20,22,24)
InChIKeyKUSXSMTUOJYJMG-UHFFFAOYSA-N
XLogP1.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 2465072
Ethyl [1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate
CID 4889004
Methyl 1-[2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 4329589
Methyl 1-[(cyclohexylamino)carbonyl]-4-piperidinecarboxylate
CID 894690
Ethyl 1-{1-[(cyclohexylcarbamoyl)amino]cyclohexanecarbonyl}piperidine-4-carboxylate
CID 3230434
Ethyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 4880073
Ethyl 1-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carboxylate
CID 2495014
Methyl 1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-1-ium-4-carboxylate
CID 8754720
Methyl 1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidine-4-carboxylate
CID 8754721
Ethyl 1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidin-1-ium-4-carboxylate
CID 8773025
Ethyl 1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]piperidine-4-carboxylate
CID 8773026
2-methylpropyl N-[1-[cyclohexyl(cyclohexylcarbamoyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 234132

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate (CID 42996458) is ethyl 1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(C)C(=O)NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of ethyl 1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The InChIKey is KUSXSMTUOJYJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-3-25-17(23)14-9-11-21(12-10-14)13(2)16(22)20-18(24)19-15-7-5-4-6-8-15/h13-15H,3-12H2,1-2H3,(H2,19,20,22,24).
What are the key properties of ethyl 1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
ethyl 1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate has a molecular weight of 353.46 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 42996458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).