methyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate

C12H18N2O3 — CID 83006477

IUPACmethyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNN1CCCCC1
InChIInChI=1S/C12H18N2O3/c1-16-12(15)11-10(5-8-17-11)9-13-14-6-3-2-4-7-14/h5,8,13H,2-4,6-7,9H2,1H3
InChIKeyZWECTKJOPRICJM-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.56
Rot. Bonds4

About methyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate

methyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate (PubChem CID 83006477) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate
PubChem CID83006477
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Namemethyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CNN1CCCCC1
InChIInChI=1S/C12H18N2O3/c1-16-12(15)11-10(5-8-17-11)9-13-14-6-3-2-4-7-14/h5,8,13H,2-4,6-7,9H2,1H3
InChIKeyZWECTKJOPRICJM-UHFFFAOYSA-N
XLogP1.56
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(3-piperidin-1-ylpropylamino)methyl]furan-2-carboxylate
CID 43425553
methyl 2-[(piperidin-1-ylamino)methyl]benzoate
CID 83006496
methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
CID 43775570
methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate
CID 43777897
methyl 3-[[2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 56502395
methyl 3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]furan-2-carboxylate
CID 43792626
methyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]furan-2-carboxylate
CID 43425240
methyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 61361829
methyl 3-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]furan-2-carboxylate
CID 105415506
methyl 3-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65315678
methyl 3-[(2-ethylsulfonylethylamino)methyl]furan-2-carboxylate
CID 103921879
methyl 3-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]furan-2-carboxylate
CID 115924474

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate (CID 83006477) is methyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate is COC(=O)c1occc1CNN1CCCCC1.
What is the InChIKey of methyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate?
The InChIKey is ZWECTKJOPRICJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-16-12(15)11-10(5-8-17-11)9-13-14-6-3-2-4-7-14/h5,8,13H,2-4,6-7,9H2,1H3.
What are the key properties of methyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate?
methyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate is sourced from PubChem (CID 83006477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).