5-(methoxymethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-2-carboxamide

C21H28N2O3 — CID 78876241

IUPAC5-(methoxymethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCc2ccc(CN3CCCC(C)C3)cc2)o1
InChIInChI=1S/C21H28N2O3/c1-16-4-3-11-23(13-16)14-18-7-5-17(6-8-18)12-22-21(24)20-10-9-19(26-20)15-25-2/h5-10,16H,3-4,11-15H2,1-2H3,(H,22,24)
InChIKeyBSPBLRCBPLADON-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.59
Rot. Bonds7

About 5-(methoxymethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-2-carboxamide

5-(methoxymethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-2-carboxamide (PubChem CID 78876241) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-(methoxymethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(methoxymethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-2-carboxamide
PubChem CID78876241
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name5-(methoxymethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NCc2ccc(CN3CCCC(C)C3)cc2)o1
InChIInChI=1S/C21H28N2O3/c1-16-4-3-11-23(13-16)14-18-7-5-17(6-8-18)12-22-21(24)20-10-9-19(26-20)15-25-2/h5-10,16H,3-4,11-15H2,1-2H3,(H,22,24)
InChIKeyBSPBLRCBPLADON-UHFFFAOYSA-N
XLogP3.59
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]benzoate
CID 46474036
2-ethyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 60556525
4-[(E)-methoxyiminomethyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 60556216
4-[(3-methylpiperidin-1-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46775851
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 94023972
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 92682170
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095
3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 55721751
1-amino-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845495
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844
1-[(4-bromophenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917763
2-iodo-3-methyl-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46483205

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-(methoxymethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-2-carboxamide (CID 78876241) is 5-(methoxymethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(methoxymethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-(methoxymethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-2-carboxamide is COCc1ccc(C(=O)NCc2ccc(CN3CCCC(C)C3)cc2)o1.
What is the InChIKey of 5-(methoxymethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-2-carboxamide?
The InChIKey is BSPBLRCBPLADON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-16-4-3-11-23(13-16)14-18-7-5-17(6-8-18)12-22-21(24)20-10-9-19(26-20)15-25-2/h5-10,16H,3-4,11-15H2,1-2H3,(H,22,24).
What are the key properties of 5-(methoxymethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-2-carboxamide?
5-(methoxymethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 78876241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).