methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate

C13H23N3O4 — CID 47392783

IUPACmethyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)NCC2CCCO2)CC1
InChIInChI=1S/C13H23N3O4/c1-19-13(18)16-6-4-10(5-7-16)15-12(17)14-9-11-3-2-8-20-11/h10-11H,2-9H2,1H3,(H2,14,15,17)
InChIKeyGAJTVPUIVQZCJY-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.70
Rot. Bonds3

About methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate

methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate (PubChem CID 47392783) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate
PubChem CID47392783
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Namemethyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)NCC2CCCO2)CC1
InChIInChI=1S/C13H23N3O4/c1-19-13(18)16-6-4-10(5-7-16)15-12(17)14-9-11-3-2-8-20-11/h10-11H,2-9H2,1H3,(H2,14,15,17)
InChIKeyGAJTVPUIVQZCJY-UHFFFAOYSA-N
XLogP0.70
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-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

N-[(Oxolan-2-yl)methyl]morpholine-4-carboxamide
CID 3311551
4-(methanesulfonamido)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 53504950
Tert-butyl 4-{[(oxolan-2-yl)methyl]amino}piperidine-1-carboxylate
CID 43652158
tert-butyl N-((oxolan-2-yl)methyl)-N-(piperidin-4-yl)carbamate
CID 50986370
(diethylamino)-N-(oxolan-2-ylmethyl)carboxamide
CID 2985186
1-[1-(2-Methylprop-2-enyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)urea
CID 72021653
N-(1,4-dioxaspiro[4.4]nonan-9-yl)-2-ethyl-6-methylmorpholine-4-carboxamide
CID 126835178
N-{[(2R)-oxolan-2-yl]methyl}morpholine-4-carboxamide
CID 735630
3-[1-(2,2-Difluoroethyl)piperidin-4-yl]-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 72145137
3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95762779
3-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95762780
4-(diethylamino)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 72153048

Frequently Asked Questions

What is the IUPAC name of methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate (CID 47392783) is methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)NCC2CCCO2)CC1.
What is the InChIKey of methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate?
The InChIKey is GAJTVPUIVQZCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-19-13(18)16-6-4-10(5-7-16)15-12(17)14-9-11-3-2-8-20-11/h10-11H,2-9H2,1H3,(H2,14,15,17).
What are the key properties of methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate?
methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(oxolan-2-ylmethylcarbamoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 47392783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).