2-methyl-1-phenyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one

C20H23N3O — CID 131650261

IUPAC2-methyl-1-phenyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
SMILESCN1C(=O)C2(CCN(Cc3ccncc3)CC2)C1c1ccccc1
InChIInChI=1S/C20H23N3O/c1-22-18(17-5-3-2-4-6-17)20(19(22)24)9-13-23(14-10-20)15-16-7-11-21-12-8-16/h2-8,11-12,18H,9-10,13-15H2,1H3
InChIKeyKPVXBAWTAPHUJJ-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.88
Rot. Bonds3

About 2-methyl-1-phenyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one

2-methyl-1-phenyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 131650261) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-methyl-1-phenyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name2-methyl-1-phenyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID131650261
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-methyl-1-phenyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
SMILESCN1C(=O)C2(CCN(Cc3ccncc3)CC2)C1c1ccccc1
InChIInChI=1S/C20H23N3O/c1-22-18(17-5-3-2-4-6-17)20(19(22)24)9-13-23(14-10-20)15-16-7-11-21-12-8-16/h2-8,11-12,18H,9-10,13-15H2,1H3
InChIKeyKPVXBAWTAPHUJJ-UHFFFAOYSA-N
XLogP2.88
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97415569
(1R)-7-(furan-2-ylmethyl)-2-methyl-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one
CID 97415566
(1S)-2-methyl-7-[(5-methylfuran-2-yl)methyl]-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one
CID 97415576
7-(furan-3-ylmethyl)-2-methyl-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155837734
2-methyl-1-phenyl-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155841350
1-methyl-3-(2-phenylethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26234591
2-methyl-7-[(5-methylfuran-2-yl)methyl]-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one;2,2,2-trifluoroacetic acid
CID 155833321
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)-8-(pyridin-4-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26219741
4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
CID 117011765
(5S)-7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42521731
N-[(3R)-7-(pyridin-4-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]benzenesulfonamide
CID 97374899
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 2-methyl-1-phenyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one (CID 131650261) is 2-methyl-1-phenyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 2-methyl-1-phenyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 2-methyl-1-phenyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one is CN1C(=O)C2(CCN(Cc3ccncc3)CC2)C1c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is KPVXBAWTAPHUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-22-18(17-5-3-2-4-6-17)20(19(22)24)9-13-23(14-10-20)15-16-7-11-21-12-8-16/h2-8,11-12,18H,9-10,13-15H2,1H3.
What are the key properties of 2-methyl-1-phenyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one?
2-methyl-1-phenyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 321.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 131650261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).