N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-2-carboxamide

C24H35N3O3 — CID 124761014

About N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-2-carboxamide

N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-2-carboxamide (PubChem CID 124761014) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-2-carboxamide
• PubChem CID: 124761014
• Molecular Formula: C24H35N3O3
• Molecular Weight: 413.56 g/mol
• Exact Mass: 413.27
• IUPAC Name: N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-2-carboxamide
• SMILES: CC(C)(C)OC[C@@H](O)CN1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
• InChI: InChI=1S/C24H35N3O3/c1-24(2,3)30-18-22(28)17-27-14-12-26(13-15-27)11-10-25-23(29)21-9-8-19-6-4-5-7-20(19)16-21/h4-9,16,22,28H,10-15,17-18H2,1-3H3,(H,25,29)/t22-/m0/s1
• InChIKey: SXLOPMFUMIYYIU-QFIPXVFZSA-N
• XLogP: 2.36
• TPSA: 65.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.56
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-2-carboxamide?

The IUPAC name of N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-2-carboxamide (CID 124761014) is N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-2-carboxamide.

What is the SMILES notation for N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-2-carboxamide?

The canonical SMILES for N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-2-carboxamide is CC(C)(C)OC[C@@H](O)CN1CCN(CCNC(=O)c2ccc3ccccc3c2)CC1.

What is the InChIKey of N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-2-carboxamide?

The InChIKey is SXLOPMFUMIYYIU-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-24(2,3)30-18-22(28)17-27-14-12-26(13-15-27)11-10-25-23(29)21-9-8-19-6-4-5-7-20(19)16-21/h4-9,16,22,28H,10-15,17-18H2,1-3H3,(H,25,29)/t22-/m0/s1.

What are the key properties of N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-2-carboxamide?

N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-2-carboxamide has a molecular weight of 413.56 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 124761014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).