7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one

C23H28N4O2 — CID 175641011

IUPAC7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN(C)c1ccc(C(=O)N2CCC3(CCN(CCc4ccccc4)C3=O)C2)cn1
InChIInChI=1S/C23H28N4O2/c1-25(2)20-9-8-19(16-24-20)21(28)27-15-12-23(17-27)11-14-26(22(23)29)13-10-18-6-4-3-5-7-18/h3-9,16H,10-15,17H2,1-2H3
InChIKeyZKYNAPGRYWQIIF-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.45
Rot. Bonds5

About 7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one

7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175641011) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175641011
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCN(C)c1ccc(C(=O)N2CCC3(CCN(CCc4ccccc4)C3=O)C2)cn1
InChIInChI=1S/C23H28N4O2/c1-25(2)20-9-8-19(16-24-20)21(28)27-15-12-23(17-27)11-14-26(22(23)29)13-10-18-6-4-3-5-7-18/h3-9,16H,10-15,17H2,1-2H3
InChIKeyZKYNAPGRYWQIIF-UHFFFAOYSA-N
XLogP2.45
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 39503795
7-(2-methylquinoline-6-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175646411
7-[3-fluoro-4-(trifluoromethyl)benzoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175640654
(5S)-2-(1-oxidopyridin-1-ium-4-carbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42357494
2-(2-phenylethyl)-7-(2,4,5-trimethoxybenzoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642991
2-(2-phenylethyl)-7-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175645650
7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45169920
(5R)-2-[(3-methylphenyl)methyl]-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373855
2-(2-phenylethyl)-7-(tetrazolo[1,5-a]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175644842
7-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642466
(5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridazine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373946
(5R)-2-[(3-methoxyphenyl)methyl]-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373943

Frequently Asked Questions

What is the IUPAC name of 7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175641011) is 7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one is CN(C)c1ccc(C(=O)N2CCC3(CCN(CCc4ccccc4)C3=O)C2)cn1.
What is the InChIKey of 7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is ZKYNAPGRYWQIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-25(2)20-9-8-19(16-24-20)21(28)27-15-12-23(17-27)11-14-26(22(23)29)13-10-18-6-4-3-5-7-18/h3-9,16H,10-15,17H2,1-2H3.
What are the key properties of 7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one?
7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 392.50 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175641011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).