N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide

C18H28N2O4 — CID 99992781

IUPACN-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
SMILESCC1CCN(Cc2ccc(C(=O)N(C)C[C@@H]3COCCO3)o2)CC1
InChIInChI=1S/C18H28N2O4/c1-14-5-7-20(8-6-14)12-15-3-4-17(24-15)18(21)19(2)11-16-13-22-9-10-23-16/h3-4,14,16H,5-13H2,1-2H3/t16-/m1/s1
InChIKeyWWVHVRCCVYNFAN-MRXNPFEDSA-N
MW336.43 g/mol
LogP2.00
Rot. Bonds5

About N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide

N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide (PubChem CID 99992781) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
PubChem CID99992781
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide
SMILESCC1CCN(Cc2ccc(C(=O)N(C)C[C@@H]3COCCO3)o2)CC1
InChIInChI=1S/C18H28N2O4/c1-14-5-7-20(8-6-14)12-15-3-4-17(24-15)18(21)19(2)11-16-13-22-9-10-23-16/h3-4,14,16H,5-13H2,1-2H3/t16-/m1/s1
InChIKeyWWVHVRCCVYNFAN-MRXNPFEDSA-N
XLogP2.00
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide (CID 99992781) is N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide is CC1CCN(Cc2ccc(C(=O)N(C)C[C@@H]3COCCO3)o2)CC1.
What is the InChIKey of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide?
The InChIKey is WWVHVRCCVYNFAN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-14-5-7-20(8-6-14)12-15-3-4-17(24-15)18(21)19(2)11-16-13-22-9-10-23-16/h3-4,14,16H,5-13H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide?
N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide has a molecular weight of 336.43 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 99992781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).