3-[[9-[(2S,4R)-4-(methylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-6-phenyl-1H-pyridin-2-one

C33H41N5O2 — CID 176681664

About 3-[[9-[(2S,4R)-4-(methylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-6-phenyl-1H-pyridin-2-one

3-[[9-[(2S,4R)-4-(methylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-6-phenyl-1H-pyridin-2-one (PubChem CID 176681664) has the molecular formula C33H41N5O2 and a molecular weight of 539.72 g/mol. Its IUPAC name is 3-[[9-[(2S,4R)-4-(methylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-6-phenyl-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 3-[[9-[(2S,4R)-4-(methylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-6-phenyl-1H-pyridin-2-one
• PubChem CID: 176681664
• Molecular Formula: C33H41N5O2
• Molecular Weight: 539.72 g/mol
• Exact Mass: 539.33
• IUPAC Name: 3-[[9-[(2S,4R)-4-(methylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-6-phenyl-1H-pyridin-2-one
• SMILES: CN[C@@H]1CCN(C(=O)N2CCN(Cc3ccc(-c4ccccc4)[nH]c3=O)C3(CCCC3)C2)[C@H](c2ccccc2)C1
• InChI: InChI=1S/C33H41N5O2/c1-34-28-16-19-38(30(22-28)26-12-6-3-7-13-26)32(40)36-20-21-37(33(24-36)17-8-9-18-33)23-27-14-15-29(35-31(27)39)25-10-4-2-5-11-25/h2-7,10-15,28,30,34H,8-9,16-24H2,1H3,(H,35,39)/t28-,30+/m1/s1
• InChIKey: STVYISUXWNRVFS-DGPALRBDSA-N
• XLogP: 5.02
• TPSA: 71.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.72
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[[9-[(2S,4R)-4-(methylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-6-phenyl-1H-pyridin-2-one?

The IUPAC name of 3-[[9-[(2S,4R)-4-(methylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-6-phenyl-1H-pyridin-2-one (CID 176681664) is 3-[[9-[(2S,4R)-4-(methylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-6-phenyl-1H-pyridin-2-one.

What is the SMILES notation for 3-[[9-[(2S,4R)-4-(methylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-6-phenyl-1H-pyridin-2-one?

The canonical SMILES for 3-[[9-[(2S,4R)-4-(methylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-6-phenyl-1H-pyridin-2-one is CN[C@@H]1CCN(C(=O)N2CCN(Cc3ccc(-c4ccccc4)[nH]c3=O)C3(CCCC3)C2)[C@H](c2ccccc2)C1.

What is the InChIKey of 3-[[9-[(2S,4R)-4-(methylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-6-phenyl-1H-pyridin-2-one?

The InChIKey is STVYISUXWNRVFS-DGPALRBDSA-N. The full InChI is InChI=1S/C33H41N5O2/c1-34-28-16-19-38(30(22-28)26-12-6-3-7-13-26)32(40)36-20-21-37(33(24-36)17-8-9-18-33)23-27-14-15-29(35-31(27)39)25-10-4-2-5-11-25/h2-7,10-15,28,30,34H,8-9,16-24H2,1H3,(H,35,39)/t28-,30+/m1/s1.

What are the key properties of 3-[[9-[(2S,4R)-4-(methylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-6-phenyl-1H-pyridin-2-one?

3-[[9-[(2S,4R)-4-(methylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-6-phenyl-1H-pyridin-2-one has a molecular weight of 539.72 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[9-[(2S,4R)-4-(methylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-6-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 176681664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).