methyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-carboxylate

C15H21NO5 — CID 61361829

IUPACmethyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)CC1CCCCN1Cc1ccoc1C(=O)OC
InChIInChI=1S/C15H21NO5/c1-19-13(17)9-12-5-3-4-7-16(12)10-11-6-8-21-14(11)15(18)20-2/h6,8,12H,3-5,7,9-10H2,1-2H3
InChIKeyORKOWIGRXPYDAL-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.98
Rot. Bonds5

About methyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-carboxylate

methyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-carboxylate (PubChem CID 61361829) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is methyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-carboxylate
PubChem CID61361829
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Namemethyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)CC1CCCCN1Cc1ccoc1C(=O)OC
InChIInChI=1S/C15H21NO5/c1-19-13(17)9-12-5-3-4-7-16(12)10-11-6-8-21-14(11)15(18)20-2/h6,8,12H,3-5,7,9-10H2,1-2H3
InChIKeyORKOWIGRXPYDAL-UHFFFAOYSA-N
XLogP1.98
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-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-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 56502395
methyl 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 167929652
3-[(2-ethylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572129
methyl 2-[1-[(4-cyano-2-methylphenyl)methyl]piperidin-2-yl]acetate
CID 114485226
methyl 2-[1-[(2-bromo-5-methoxyphenyl)methyl]piperidin-2-yl]acetate
CID 65327147
methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
CID 43775570
methyl 2-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]acetate
CID 62028859
methyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate
CID 62026011
methyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate
CID 83006477
methyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate
CID 78969714
3-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 138045770
methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate
CID 62028081

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-carboxylate (CID 61361829) is methyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-carboxylate is COC(=O)CC1CCCCN1Cc1ccoc1C(=O)OC.
What is the InChIKey of methyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-carboxylate?
The InChIKey is ORKOWIGRXPYDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-19-13(17)9-12-5-3-4-7-16(12)10-11-6-8-21-14(11)15(18)20-2/h6,8,12H,3-5,7,9-10H2,1-2H3.
What are the key properties of methyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-carboxylate?
methyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-carboxylate has a molecular weight of 295.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 61361829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).