4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile

C17H19N3O2 — CID 97139079

IUPAC4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
SMILESCN1CCC[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1=O
InChIInChI=1S/C17H19N3O2/c1-19-9-2-7-17(16(19)22)8-10-20(12-17)15(21)14-5-3-13(11-18)4-6-14/h3-6H,2,7-10,12H2,1H3/t17-/m1/s1
InChIKeyGPVRGVOSYGEAIY-QGZVFWFLSA-N
MW297.36 g/mol
LogP1.64
Rot. Bonds1

About 4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile

4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile (PubChem CID 97139079) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile.

Molecular Properties

Compound Name4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
PubChem CID97139079
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
SMILESCN1CCC[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1=O
InChIInChI=1S/C17H19N3O2/c1-19-9-2-7-17(16(19)22)8-10-20(12-17)15(21)14-5-3-13(11-18)4-6-14/h3-6H,2,7-10,12H2,1H3/t17-/m1/s1
InChIKeyGPVRGVOSYGEAIY-QGZVFWFLSA-N
XLogP1.64
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45205610
N-[4-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]phenyl]ethanesulfonamide
CID 97124077
(5R)-2-(1,3-benzodioxole-5-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 25385054
7-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one
CID 97132204
(5R)-7-methyl-2-[3-(2-oxoimidazolidin-1-yl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97115574
7-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl)-4H-1,4-benzoxazin-3-one
CID 72923527
7-methyl-2-(1-methyl-2-oxo-6-propan-2-ylpyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 56741799
7-methyl-2-(4H-thieno[3,2-b]pyrrole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 56751168
6-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1H-pyrimidine-2,4-dione
CID 95218005
4-(azepane-1-carbonyl)benzonitrile
CID 7964092
(5S)-2-[3-(1H-imidazol-2-yl)benzoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 95189352
(5R)-7-methyl-2-[5-(methylsulfanylmethyl)furan-2-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25481006

Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile?
The IUPAC name of 4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile (CID 97139079) is 4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile.
What is the SMILES notation for 4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile?
The canonical SMILES for 4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile is CN1CCC[C@]2(CCN(C(=O)c3ccc(C#N)cc3)C2)C1=O.
What is the InChIKey of 4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile?
The InChIKey is GPVRGVOSYGEAIY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-19-9-2-7-17(16(19)22)8-10-20(12-17)15(21)14-5-3-13(11-18)4-6-14/h3-6H,2,7-10,12H2,1H3/t17-/m1/s1.
What are the key properties of 4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile?
4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile has a molecular weight of 297.36 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile is sourced from PubChem (CID 97139079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).