methyl 5-[[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methyl]furan-2-carboxylate

C19H27N3O3 — CID 90494265

IUPACmethyl 5-[[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2CCC(Cn3ccnc3C(C)C)CC2)o1
InChIInChI=1S/C19H27N3O3/c1-14(2)18-20-8-11-22(18)12-15-6-9-21(10-7-15)13-16-4-5-17(25-16)19(23)24-3/h4-5,8,11,14-15H,6-7,9-10,12-13H2,1-3H3
InChIKeyJYDAZACGOSTZOR-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.30
Rot. Bonds6

About methyl 5-[[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methyl]furan-2-carboxylate

methyl 5-[[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methyl]furan-2-carboxylate (PubChem CID 90494265) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is methyl 5-[[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methyl]furan-2-carboxylate
PubChem CID90494265
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Namemethyl 5-[[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2CCC(Cn3ccnc3C(C)C)CC2)o1
InChIInChI=1S/C19H27N3O3/c1-14(2)18-20-8-11-22(18)12-15-6-9-21(10-7-15)13-16-4-5-17(25-16)19(23)24-3/h4-5,8,11,14-15H,6-7,9-10,12-13H2,1-3H3
InChIKeyJYDAZACGOSTZOR-UHFFFAOYSA-N
XLogP3.30
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[4-[(2-propan-2-ylimidazol-1-yl)methyl]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

(5-bromofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493421
methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 63596044
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
1-[(2-chlorophenyl)methyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
CID 90494260
1-piperidin-1-yl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494161
(4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493400
N-(4-nitrophenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494209
(7-methoxy-1-benzofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 52992563
1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 90492830
methyl 5-[[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]furan-2-carboxylate;oxalic acid
CID 71784907
2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 90494205
N-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494174

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methyl]furan-2-carboxylate (CID 90494265) is methyl 5-[[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methyl]furan-2-carboxylate is COC(=O)c1ccc(CN2CCC(Cn3ccnc3C(C)C)CC2)o1.
What is the InChIKey of methyl 5-[[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methyl]furan-2-carboxylate?
The InChIKey is JYDAZACGOSTZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(2)18-20-8-11-22(18)12-15-6-9-21(10-7-15)13-16-4-5-17(25-16)19(23)24-3/h4-5,8,11,14-15H,6-7,9-10,12-13H2,1-3H3.
What are the key properties of methyl 5-[[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methyl]furan-2-carboxylate?
methyl 5-[[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methyl]furan-2-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 90494265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).