methyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxylate

C14H26N2O4 — CID 112542661

IUPACmethyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxylate
SMILESCCC(O)C1CC(NC(=O)C(C)C)CN(C(=O)OC)C1
InChIInChI=1S/C14H26N2O4/c1-5-12(17)10-6-11(15-13(18)9(2)3)8-16(7-10)14(19)20-4/h9-12,17H,5-8H2,1-4H3,(H,15,18)
InChIKeyWUUXAXPSUCQMCY-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.99
Rot. Bonds4

About methyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxylate

methyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxylate (PubChem CID 112542661) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is methyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxylate
PubChem CID112542661
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Namemethyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxylate
SMILESCCC(O)C1CC(NC(=O)C(C)C)CN(C(=O)OC)C1
InChIInChI=1S/C14H26N2O4/c1-5-12(17)10-6-11(15-13(18)9(2)3)8-16(7-10)14(19)20-4/h9-12,17H,5-8H2,1-4H3,(H,15,18)
InChIKeyWUUXAXPSUCQMCY-UHFFFAOYSA-N
XLogP0.99
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)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

methyl 3-(1-hydroxypropyl)-5-(propylamino)piperidine-1-carboxylate
CID 83990952
methyl 3-(1-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 112544429
N-[5-(1-hydroxypropyl)-1-propylpiperidin-3-yl]-2-methylpropanamide
CID 112542596
N-[5-(1-hydroxyethyl)-1-propanoylpiperidin-3-yl]-2-methylpropanamide
CID 112542715
methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate
CID 112543141
ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 112543799
methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 83992933
methyl N-[1-(cyanomethyl)-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112543535
methyl 3-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate
CID 83992232
methyl 3-butan-2-ylpiperidine-1-carboxylate
CID 171824675
N-[1-butan-2-yl-5-(1-hydroxypropyl)piperidin-3-yl]acetamide
CID 112541903
methyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 83993625

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxylate (CID 112542661) is methyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxylate is CCC(O)C1CC(NC(=O)C(C)C)CN(C(=O)OC)C1.
What is the InChIKey of methyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxylate?
The InChIKey is WUUXAXPSUCQMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-12(17)10-6-11(15-13(18)9(2)3)8-16(7-10)14(19)20-4/h9-12,17H,5-8H2,1-4H3,(H,15,18).
What are the key properties of methyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxylate?
methyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxylate has a molecular weight of 286.37 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 112542661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).