N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide

C29H40N4O2 — CID 70808379

About N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide

N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide (PubChem CID 70808379) has the molecular formula C29H40N4O2 and a molecular weight of 476.67 g/mol. Its IUPAC name is N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide
• PubChem CID: 70808379
• Molecular Formula: C29H40N4O2
• Molecular Weight: 476.67 g/mol
• Exact Mass: 476.32
• IUPAC Name: N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide
• SMILES: CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC(=O)C5CNCCO5)CC4)n3)ccc21
• InChI: InChI=1S/C29H40N4O2/c1-28(2)12-13-29(3,4)23-18-20(8-9-22(23)28)24-6-5-7-26(32-24)33-15-10-21(11-16-33)31-27(34)25-19-30-14-17-35-25/h5-9,18,21,25,30H,10-17,19H2,1-4H3,(H,31,34)
• InChIKey: WQXJKENTKCEAFN-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 66.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.67
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide?

The IUPAC name of N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide (CID 70808379) is N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide.

What is the SMILES notation for N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide?

The canonical SMILES for N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide is CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(NC(=O)C5CNCCO5)CC4)n3)ccc21.

What is the InChIKey of N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide?

The InChIKey is WQXJKENTKCEAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O2/c1-28(2)12-13-29(3,4)23-18-20(8-9-22(23)28)24-6-5-7-26(32-24)33-15-10-21(11-16-33)31-27(34)25-19-30-14-17-35-25/h5-9,18,21,25,30H,10-17,19H2,1-4H3,(H,31,34).

What are the key properties of N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide?

N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide has a molecular weight of 476.67 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2-pyridinyl]piperidin-4-yl]morpholine-2-carboxamide is sourced from PubChem (CID 70808379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).