2-methyl-1-[(6S)-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one

C19H29N3O2 — CID 97492474

About 2-methyl-1-[(6S)-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one

2-methyl-1-[(6S)-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one (PubChem CID 97492474) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-methyl-1-[(6S)-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-methyl-1-[(6S)-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one
• PubChem CID: 97492474
• Molecular Formula: C19H29N3O2
• Molecular Weight: 331.46 g/mol
• Exact Mass: 331.23
• IUPAC Name: 2-methyl-1-[(6S)-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one
• SMILES: Cc1cccc(CN2CCO[C@@]3(CCCN(C(=O)C(C)C)C3)C2)n1
• InChI: InChI=1S/C19H29N3O2/c1-15(2)18(23)22-9-5-8-19(14-22)13-21(10-11-24-19)12-17-7-4-6-16(3)20-17/h4,6-7,15H,5,8-14H2,1-3H3/t19-/m0/s1
• InChIKey: QUSIRBICXBEPMR-IBGZPJMESA-N
• XLogP: 2.24
• TPSA: 45.67 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.46
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(6S)-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one?

The IUPAC name of 2-methyl-1-[(6S)-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one (CID 97492474) is 2-methyl-1-[(6S)-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one.

What is the SMILES notation for 2-methyl-1-[(6S)-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one?

The canonical SMILES for 2-methyl-1-[(6S)-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one is Cc1cccc(CN2CCO[C@@]3(CCCN(C(=O)C(C)C)C3)C2)n1.

What is the InChIKey of 2-methyl-1-[(6S)-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one?

The InChIKey is QUSIRBICXBEPMR-IBGZPJMESA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15(2)18(23)22-9-5-8-19(14-22)13-21(10-11-24-19)12-17-7-4-6-16(3)20-17/h4,6-7,15H,5,8-14H2,1-3H3/t19-/m0/s1.

What are the key properties of 2-methyl-1-[(6S)-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one?

2-methyl-1-[(6S)-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one has a molecular weight of 331.46 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-[(6S)-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]propan-1-one is sourced from PubChem (CID 97492474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).