1-[2-(4-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone

C15H18N2O2 — CID 121451774

IUPAC1-[2-(4-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
SMILESCC(=O)N1CC2(C1)CN(C(=O)c1ccc(C)cc1)C2
InChIInChI=1S/C15H18N2O2/c1-11-3-5-13(6-4-11)14(19)17-9-15(10-17)7-16(8-15)12(2)18/h3-6H,7-10H2,1-2H3
InChIKeyRHBNLVZRKRROLX-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.30
Rot. Bonds1

About 1-[2-(4-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone

1-[2-(4-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone (PubChem CID 121451774) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-(4-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
PubChem CID121451774
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[2-(4-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
SMILESCC(=O)N1CC2(C1)CN(C(=O)c1ccc(C)cc1)C2
InChIInChI=1S/C15H18N2O2/c1-11-3-5-13(6-4-11)14(19)17-9-15(10-17)7-16(8-15)12(2)18/h3-6H,7-10H2,1-2H3
InChIKeyRHBNLVZRKRROLX-UHFFFAOYSA-N
XLogP1.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone 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

1-[2-(4-tert-butylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
CID 121450349
1-[2-(4-ethylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
CID 144801834
1-[2-(4-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]prop-2-en-1-one
CID 172889268
1-[2-(4-ethyl-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
CID 167033019
1-[2-(4-methoxy-3-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
CID 121342415
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
1-acetyl-4-(4-methylbenzoyl)-1,4-diazepane-6-carboxamide
CID 110107413
1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97449095
(4-methylphenyl)-piperazin-4-ium-1-ylmethanone
CID 7016653
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone
CID 82285874
(3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 79015249

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone?
The IUPAC name of 1-[2-(4-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone (CID 121451774) is 1-[2-(4-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone?
The canonical SMILES for 1-[2-(4-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone is CC(=O)N1CC2(C1)CN(C(=O)c1ccc(C)cc1)C2.
What is the InChIKey of 1-[2-(4-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone?
The InChIKey is RHBNLVZRKRROLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-3-5-13(6-4-11)14(19)17-9-15(10-17)7-16(8-15)12(2)18/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-[2-(4-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone?
1-[2-(4-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone has a molecular weight of 258.32 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone is sourced from PubChem (CID 121451774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).