N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-methylbenzamide

C27H33N3O5 — CID 93196564

About N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-methylbenzamide

N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-methylbenzamide (PubChem CID 93196564) has the molecular formula C27H33N3O5 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-methylbenzamide
• PubChem CID: 93196564
• Molecular Formula: C27H33N3O5
• Molecular Weight: 479.58 g/mol
• Exact Mass: 479.24
• IUPAC Name: N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-methylbenzamide
• SMILES: Cc1ccccc1C(=O)N[C@@H](C(=O)NCC(C)C)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1
• InChI: InChI=1S/C27H33N3O5/c1-17(2)15-28-26(32)24(29-25(31)21-7-5-4-6-18(21)3)19-10-12-30(13-11-19)27(33)20-8-9-22-23(14-20)35-16-34-22/h4-9,14,17,19,24H,10-13,15-16H2,1-3H3,(H,28,32)(H,29,31)/t24-/m1/s1
• InChIKey: CUAWAGAMXINMFS-XMMPIXPASA-N
• XLogP: 3.15
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.58
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-methylbenzamide?

The IUPAC name of N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-methylbenzamide (CID 93196564) is N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-methylbenzamide.

What is the SMILES notation for N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-methylbenzamide?

The canonical SMILES for N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-methylbenzamide is Cc1ccccc1C(=O)N[C@@H](C(=O)NCC(C)C)C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1.

What is the InChIKey of N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-methylbenzamide?

The InChIKey is CUAWAGAMXINMFS-XMMPIXPASA-N. The full InChI is InChI=1S/C27H33N3O5/c1-17(2)15-28-26(32)24(29-25(31)21-7-5-4-6-18(21)3)19-10-12-30(13-11-19)27(33)20-8-9-22-23(14-20)35-16-34-22/h4-9,14,17,19,24H,10-13,15-16H2,1-3H3,(H,28,32)(H,29,31)/t24-/m1/s1.

What are the key properties of N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-methylbenzamide?

N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-methylbenzamide has a molecular weight of 479.58 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 93196564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).