N-cyclohexyl-N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide

C34H45N3O4 — CID 166342335

About N-cyclohexyl-N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide

N-cyclohexyl-N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide (PubChem CID 166342335) has the molecular formula C34H45N3O4 and a molecular weight of 559.75 g/mol. Its IUPAC name is N-cyclohexyl-N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: N-cyclohexyl-N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide
• PubChem CID: 166342335
• Molecular Formula: C34H45N3O4
• Molecular Weight: 559.75 g/mol
• Exact Mass: 559.34
• IUPAC Name: N-cyclohexyl-N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide
• SMILES: O=C(Nc1ccc2c(c1)OCCO2)C(C1CCN(C2CCCCC2)CC1)N(C(=O)c1ccccc1)C1CCCCC1
• InChI: InChI=1S/C34H45N3O4/c38-33(35-27-16-17-30-31(24-27)41-23-22-40-30)32(25-18-20-36(21-19-25)28-12-6-2-7-13-28)37(29-14-8-3-9-15-29)34(39)26-10-4-1-5-11-26/h1,4-5,10-11,16-17,24-25,28-29,32H,2-3,6-9,12-15,18-23H2,(H,35,38)
• InChIKey: GMVITRXULJCDDH-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.75
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide?

The IUPAC name of N-cyclohexyl-N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide (CID 166342335) is N-cyclohexyl-N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide.

What is the SMILES notation for N-cyclohexyl-N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide?

The canonical SMILES for N-cyclohexyl-N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide is O=C(Nc1ccc2c(c1)OCCO2)C(C1CCN(C2CCCCC2)CC1)N(C(=O)c1ccccc1)C1CCCCC1.

What is the InChIKey of N-cyclohexyl-N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide?

The InChIKey is GMVITRXULJCDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45N3O4/c38-33(35-27-16-17-30-31(24-27)41-23-22-40-30)32(25-18-20-36(21-19-25)28-12-6-2-7-13-28)37(29-14-8-3-9-15-29)34(39)26-10-4-1-5-11-26/h1,4-5,10-11,16-17,24-25,28-29,32H,2-3,6-9,12-15,18-23H2,(H,35,38).

What are the key properties of N-cyclohexyl-N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide?

N-cyclohexyl-N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide has a molecular weight of 559.75 g/mol, XLogP of 6.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-N-[1-(1-cyclohexylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 166342335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).