methyl 2-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]furan-3-carboxylate

C16H26N2O3 — CID 106637513

IUPACmethyl 2-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN(CC1CCCNC1)C(C)C
InChIInChI=1S/C16H26N2O3/c1-12(2)18(10-13-5-4-7-17-9-13)11-15-14(6-8-21-15)16(19)20-3/h6,8,12-13,17H,4-5,7,9-11H2,1-3H3
InChIKeyPFMILZATYNHBML-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.28
Rot. Bonds6

About methyl 2-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]furan-3-carboxylate

methyl 2-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]furan-3-carboxylate (PubChem CID 106637513) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is methyl 2-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]furan-3-carboxylate
PubChem CID106637513
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Namemethyl 2-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN(CC1CCCNC1)C(C)C
InChIInChI=1S/C16H26N2O3/c1-12(2)18(10-13-5-4-7-17-9-13)11-15-14(6-8-21-15)16(19)20-3/h6,8,12-13,17H,4-5,7,9-11H2,1-3H3
InChIKeyPFMILZATYNHBML-UHFFFAOYSA-N
XLogP2.28
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide
CID 106637630
methyl 2-[[azetidin-3-yl(methyl)amino]methyl]furan-3-carboxylate
CID 66185959
N-pentan-3-yl-2-[piperidin-3-ylmethyl(propan-2-yl)amino]acetamide
CID 106637889
2-[piperidin-3-ylmethyl(propan-2-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106637814
2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106623984
N-[(2-methoxy-5-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637432
3-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]benzamide
CID 106637286
N-[(4-bromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624142
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258
2-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 103815885
N-[(4-methoxy-3-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624044
benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96555678

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]furan-3-carboxylate (CID 106637513) is methyl 2-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]furan-3-carboxylate is COC(=O)c1ccoc1CN(CC1CCCNC1)C(C)C.
What is the InChIKey of methyl 2-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]furan-3-carboxylate?
The InChIKey is PFMILZATYNHBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(2)18(10-13-5-4-7-17-9-13)11-15-14(6-8-21-15)16(19)20-3/h6,8,12-13,17H,4-5,7,9-11H2,1-3H3.
What are the key properties of methyl 2-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]furan-3-carboxylate?
methyl 2-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]furan-3-carboxylate has a molecular weight of 294.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 106637513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).