N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carboxamide

C23H31N3O3 — CID 120890997

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carboxamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carboxamide (PubChem CID 120890997) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carboxamide
• PubChem CID: 120890997
• Molecular Formula: C23H31N3O3
• Molecular Weight: 397.52 g/mol
• Exact Mass: 397.24
• IUPAC Name: N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carboxamide
• SMILES: COCC1(CNC(=O)c2occc2CN2c3ccccc3CC2C)CCNCC1
• InChI: InChI=1S/C23H31N3O3/c1-17-13-18-5-3-4-6-20(18)26(17)14-19-7-12-29-21(19)22(27)25-15-23(16-28-2)8-10-24-11-9-23/h3-7,12,17,24H,8-11,13-16H2,1-2H3,(H,25,27)
• InChIKey: PVOUTVIVXVUFSH-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 66.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.52
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carboxamide?

The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carboxamide (CID 120890997) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carboxamide?

The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carboxamide is COCC1(CNC(=O)c2occc2CN2c3ccccc3CC2C)CCNCC1.

What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carboxamide?

The InChIKey is PVOUTVIVXVUFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-17-13-18-5-3-4-6-20(18)26(17)14-19-7-12-29-21(19)22(27)25-15-23(16-28-2)8-10-24-11-9-23/h3-7,12,17,24H,8-11,13-16H2,1-2H3,(H,25,27).

What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carboxamide?

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 120890997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).