N-[(2S)-6-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

C30H40N2O4 — CID 59505862

About N-[(2S)-6-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide

N-[(2S)-6-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (PubChem CID 59505862) has the molecular formula C30H40N2O4 and a molecular weight of 492.66 g/mol. Its IUPAC name is N-[(2S)-6-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

• Compound Name: N-[(2S)-6-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
• PubChem CID: 59505862
• Molecular Formula: C30H40N2O4
• Molecular Weight: 492.66 g/mol
• Exact Mass: 492.30
• IUPAC Name: N-[(2S)-6-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
• SMILES: CC1(O)CCN(CCc2ccc3c(c2)CC[C@H](NC(=O)c2ccc(OC[C@@H]4CCCO4)cc2)C3)CC1
• InChI: InChI=1S/C30H40N2O4/c1-30(34)13-16-32(17-14-30)15-12-22-4-5-25-20-26(9-6-24(25)19-22)31-29(33)23-7-10-27(11-8-23)36-21-28-3-2-18-35-28/h4-5,7-8,10-11,19,26,28,34H,2-3,6,9,12-18,20-21H2,1H3,(H,31,33)/t26-,28-/m0/s1
• InChIKey: UAHOGLSVELXMRU-XCZPVHLTSA-N
• XLogP: 3.92
• TPSA: 71.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.66
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-6-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?

The IUPAC name of N-[(2S)-6-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide (CID 59505862) is N-[(2S)-6-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide.

What is the SMILES notation for N-[(2S)-6-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?

The canonical SMILES for N-[(2S)-6-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is CC1(O)CCN(CCc2ccc3c(c2)CC[C@H](NC(=O)c2ccc(OC[C@@H]4CCCO4)cc2)C3)CC1.

What is the InChIKey of N-[(2S)-6-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?

The InChIKey is UAHOGLSVELXMRU-XCZPVHLTSA-N. The full InChI is InChI=1S/C30H40N2O4/c1-30(34)13-16-32(17-14-30)15-12-22-4-5-25-20-26(9-6-24(25)19-22)31-29(33)23-7-10-27(11-8-23)36-21-28-3-2-18-35-28/h4-5,7-8,10-11,19,26,28,34H,2-3,6,9,12-18,20-21H2,1H3,(H,31,33)/t26-,28-/m0/s1.

What are the key properties of N-[(2S)-6-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide?

N-[(2S)-6-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 492.66 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-6-[2-(4-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 59505862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).