(5S)-9-(cyclopropylmethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one

C19H27N3O — CID 97372110

About (5S)-9-(cyclopropylmethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one

(5S)-9-(cyclopropylmethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 97372110) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is (5S)-9-(cyclopropylmethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

• Compound Name: (5S)-9-(cyclopropylmethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
• PubChem CID: 97372110
• Molecular Formula: C19H27N3O
• Molecular Weight: 313.44 g/mol
• Exact Mass: 313.22
• IUPAC Name: (5S)-9-(cyclopropylmethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
• SMILES: Cc1cccc(CN2CC[C@]3(CCCN(CC4CC4)C3)C2=O)n1
• InChI: InChI=1S/C19H27N3O/c1-15-4-2-5-17(20-15)13-22-11-9-19(18(22)23)8-3-10-21(14-19)12-16-6-7-16/h2,4-5,16H,3,6-14H2,1H3/t19-/m0/s1
• InChIKey: UMAOJGQYGDLRIA-IBGZPJMESA-N
• XLogP: 2.61
• TPSA: 36.44 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.44
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(cyclopropylmethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one?

The IUPAC name of (5S)-9-(cyclopropylmethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one (CID 97372110) is (5S)-9-(cyclopropylmethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one.

What is the SMILES notation for (5S)-9-(cyclopropylmethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one?

The canonical SMILES for (5S)-9-(cyclopropylmethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one is Cc1cccc(CN2CC[C@]3(CCCN(CC4CC4)C3)C2=O)n1.

What is the InChIKey of (5S)-9-(cyclopropylmethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one?

The InChIKey is UMAOJGQYGDLRIA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H27N3O/c1-15-4-2-5-17(20-15)13-22-11-9-19(18(22)23)8-3-10-21(14-19)12-16-6-7-16/h2,4-5,16H,3,6-14H2,1H3/t19-/m0/s1.

What are the key properties of (5S)-9-(cyclopropylmethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one?

(5S)-9-(cyclopropylmethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 313.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-9-(cyclopropylmethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97372110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).