(4R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one

C20H23N3O2 — CID 98776992

IUPAC(4R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOc1ncccc1CN1CC[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-25-18-16(8-5-10-21-18)13-23-11-9-20(14-23)17(12-22-19(20)24)15-6-3-2-4-7-15/h2-8,10,17H,9,11-14H2,1H3,(H,22,24)/t17-,20-/m1/s1
InChIKeyOKYVADWXIMDEJQ-YLJYHZDGSA-N
MW337.42 g/mol
LogP2.20
Rot. Bonds4

About (4R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one

(4R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 98776992) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (4R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(4R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID98776992
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(4R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOc1ncccc1CN1CC[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-25-18-16(8-5-10-21-18)13-23-11-9-20(14-23)17(12-22-19(20)24)15-6-3-2-4-7-15/h2-8,10,17H,9,11-14H2,1H3,(H,22,24)/t17-,20-/m1/s1
InChIKeyOKYVADWXIMDEJQ-YLJYHZDGSA-N
XLogP2.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (4R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one (CID 98776992) is (4R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (4R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (4R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one is COc1ncccc1CN1CC[C@]2(C1)C(=O)NC[C@@H]2c1ccccc1.
What is the InChIKey of (4R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is OKYVADWXIMDEJQ-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-25-18-16(8-5-10-21-18)13-23-11-9-20(14-23)17(12-22-19(20)24)15-6-3-2-4-7-15/h2-8,10,17H,9,11-14H2,1H3,(H,22,24)/t17-,20-/m1/s1.
What are the key properties of (4R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one?
(4R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 337.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 98776992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).