methyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate

C16H27N3O4 — CID 2465072

IUPACmethyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C16H27N3O4/c1-23-15(21)12-7-9-19(10-8-12)11-14(20)18-16(22)17-13-5-3-2-4-6-13/h12-13H,2-11H2,1H3,(H2,17,18,20,22)
InChIKeySUIFSOWQWSJLCK-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.03
Rot. Bonds4

About methyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate

methyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 2465072) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
PubChem CID2465072
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Namemethyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)NC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C16H27N3O4/c1-23-15(21)12-7-9-19(10-8-12)11-14(20)18-16(22)17-13-5-3-2-4-6-13/h12-13H,2-11H2,1H3,(H2,17,18,20,22)
InChIKeySUIFSOWQWSJLCK-UHFFFAOYSA-N
XLogP1.03
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
Methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate
CID 2950779
Ethyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 4880073
Ethyl 1-[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 42996458
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
Methyl 4-[[2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]acetyl]amino]butanoate
CID 45205544
ethyl 1-(N-cyclohexylcarbamoyl)piperidine-4-carboxylate
CID 769353
Carbonic acid;ethyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate
CID 89779980

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate (CID 2465072) is methyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate is COC(=O)C1CCN(CC(=O)NC(=O)NC2CCCCC2)CC1.
What is the InChIKey of methyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is SUIFSOWQWSJLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-23-15(21)12-7-9-19(10-8-12)11-14(20)18-16(22)17-13-5-3-2-4-6-13/h12-13H,2-11H2,1H3,(H2,17,18,20,22).
What are the key properties of methyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate?
methyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 2465072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).