N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide

C21H30N2O4 — CID 60500684

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide (PubChem CID 60500684) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
• PubChem CID: 60500684
• Molecular Formula: C21H30N2O4
• Molecular Weight: 374.48 g/mol
• Exact Mass: 374.22
• IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
• SMILES: O=C(CN1CCC(CO)CC1)NC1(c2ccc3c(c2)OCCO3)CCCC1
• InChI: InChI=1S/C21H30N2O4/c24-15-16-5-9-23(10-6-16)14-20(25)22-21(7-1-2-8-21)17-3-4-18-19(13-17)27-12-11-26-18/h3-4,13,16,24H,1-2,5-12,14-15H2,(H,22,25)
• InChIKey: RUEITRJEFUFFCH-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 71.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.48
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?

The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide (CID 60500684) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide.

What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?

The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide is O=C(CN1CCC(CO)CC1)NC1(c2ccc3c(c2)OCCO3)CCCC1.

What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?

The InChIKey is RUEITRJEFUFFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c24-15-16-5-9-23(10-6-16)14-20(25)22-21(7-1-2-8-21)17-3-4-18-19(13-17)27-12-11-26-18/h3-4,13,16,24H,1-2,5-12,14-15H2,(H,22,25).

What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide has a molecular weight of 374.48 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 60500684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).