methyl 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate

C15H19N3O3 — CID 167929652

IUPACmethyl 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CN1CCCCC1c1ncc[nH]1
InChIInChI=1S/C15H19N3O3/c1-20-15(19)13-11(5-9-21-13)10-18-8-3-2-4-12(18)14-16-6-7-17-14/h5-7,9,12H,2-4,8,10H2,1H3,(H,16,17)
InChIKeyVSTATYXOYROZDS-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.52
Rot. Bonds4

About methyl 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate

methyl 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate (PubChem CID 167929652) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate
PubChem CID167929652
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Namemethyl 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CN1CCCCC1c1ncc[nH]1
InChIInChI=1S/C15H19N3O3/c1-20-15(19)13-11(5-9-21-13)10-18-8-3-2-4-12(18)14-16-6-7-17-14/h5-7,9,12H,2-4,8,10H2,1H3,(H,16,17)
InChIKeyVSTATYXOYROZDS-UHFFFAOYSA-N
XLogP2.52
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 61361829
methyl 3-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 56502395
2-[2-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide
CID 75470838
(2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
CID 124625332
1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
CID 174724026
3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide
CID 126787531
methyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate
CID 83006477
1-[(5-fluoro-2-nitrophenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
CID 71968465
methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
CID 43775570
3-[(2-ethylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572129
3-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 136529933
methyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate
CID 115670655

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate (CID 167929652) is methyl 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate is COC(=O)c1occc1CN1CCCCC1c1ncc[nH]1.
What is the InChIKey of methyl 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate?
The InChIKey is VSTATYXOYROZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-20-15(19)13-11(5-9-21-13)10-18-8-3-2-4-12(18)14-16-6-7-17-14/h5-7,9,12H,2-4,8,10H2,1H3,(H,16,17).
What are the key properties of methyl 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate?
methyl 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 167929652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).