5-[[9-[(2S,4R)-4-(cyclopropylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-2-phenyl-1H-pyridin-4-one

C35H43N5O2 — CID 176681808

About 5-[[9-[(2S,4R)-4-(cyclopropylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-2-phenyl-1H-pyridin-4-one

5-[[9-[(2S,4R)-4-(cyclopropylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-2-phenyl-1H-pyridin-4-one (PubChem CID 176681808) has the molecular formula C35H43N5O2 and a molecular weight of 565.76 g/mol. Its IUPAC name is 5-[[9-[(2S,4R)-4-(cyclopropylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-2-phenyl-1H-pyridin-4-one.

Molecular Properties

• Compound Name: 5-[[9-[(2S,4R)-4-(cyclopropylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-2-phenyl-1H-pyridin-4-one
• PubChem CID: 176681808
• Molecular Formula: C35H43N5O2
• Molecular Weight: 565.76 g/mol
• Exact Mass: 565.34
• IUPAC Name: 5-[[9-[(2S,4R)-4-(cyclopropylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-2-phenyl-1H-pyridin-4-one
• SMILES: O=C(N1CCN(Cc2c[nH]c(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CC[C@@H](NC2CC2)C[C@H]1c1ccccc1
• InChI: InChI=1S/C35H43N5O2/c41-33-22-31(26-9-3-1-4-10-26)36-23-28(33)24-39-20-19-38(25-35(39)16-7-8-17-35)34(42)40-18-15-30(37-29-13-14-29)21-32(40)27-11-5-2-6-12-27/h1-6,9-12,22-23,29-30,32,37H,7-8,13-21,24-25H2,(H,36,41)/t30-,32+/m1/s1
• InChIKey: FBGZVPUTHBIPDW-BHYZAODMSA-N
• XLogP: 5.55
• TPSA: 71.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.76
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[[9-[(2S,4R)-4-(cyclopropylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-2-phenyl-1H-pyridin-4-one?

The IUPAC name of 5-[[9-[(2S,4R)-4-(cyclopropylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-2-phenyl-1H-pyridin-4-one (CID 176681808) is 5-[[9-[(2S,4R)-4-(cyclopropylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-2-phenyl-1H-pyridin-4-one.

What is the SMILES notation for 5-[[9-[(2S,4R)-4-(cyclopropylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-2-phenyl-1H-pyridin-4-one?

The canonical SMILES for 5-[[9-[(2S,4R)-4-(cyclopropylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-2-phenyl-1H-pyridin-4-one is O=C(N1CCN(Cc2c[nH]c(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CC[C@@H](NC2CC2)C[C@H]1c1ccccc1.

What is the InChIKey of 5-[[9-[(2S,4R)-4-(cyclopropylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-2-phenyl-1H-pyridin-4-one?

The InChIKey is FBGZVPUTHBIPDW-BHYZAODMSA-N. The full InChI is InChI=1S/C35H43N5O2/c41-33-22-31(26-9-3-1-4-10-26)36-23-28(33)24-39-20-19-38(25-35(39)16-7-8-17-35)34(42)40-18-15-30(37-29-13-14-29)21-32(40)27-11-5-2-6-12-27/h1-6,9-12,22-23,29-30,32,37H,7-8,13-21,24-25H2,(H,36,41)/t30-,32+/m1/s1.

What are the key properties of 5-[[9-[(2S,4R)-4-(cyclopropylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-2-phenyl-1H-pyridin-4-one?

5-[[9-[(2S,4R)-4-(cyclopropylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-2-phenyl-1H-pyridin-4-one has a molecular weight of 565.76 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[9-[(2S,4R)-4-(cyclopropylamino)-2-phenylpiperidine-1-carbonyl]-6,9-diazaspiro[4.5]decan-6-yl]methyl]-2-phenyl-1H-pyridin-4-one is sourced from PubChem (CID 176681808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).