7-[4-(azepan-1-ylmethyl)benzoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one

C24H35N3O2 — CID 176500159

IUPAC7-[4-(azepan-1-ylmethyl)benzoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCCN1CCC2(CCN(C(=O)c3ccc(CN4CCCCCC4)cc3)C2)C1=O
InChIInChI=1S/C24H35N3O2/c1-2-13-26-16-11-24(23(26)29)12-17-27(19-24)22(28)21-9-7-20(8-10-21)18-25-14-5-3-4-6-15-25/h7-10H,2-6,11-19H2,1H3
InChIKeyDHKMNOKOSWDOEN-UHFFFAOYSA-N
MW397.56 g/mol
LogP3.54
Rot. Bonds5

About 7-[4-(azepan-1-ylmethyl)benzoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one

7-[4-(azepan-1-ylmethyl)benzoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 176500159) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 7-[4-(azepan-1-ylmethyl)benzoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-[4-(azepan-1-ylmethyl)benzoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID176500159
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name7-[4-(azepan-1-ylmethyl)benzoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCCCN1CCC2(CCN(C(=O)c3ccc(CN4CCCCCC4)cc3)C2)C1=O
InChIInChI=1S/C24H35N3O2/c1-2-13-26-16-11-24(23(26)29)12-17-27(19-24)22(28)21-9-7-20(8-10-21)18-25-14-5-3-4-6-15-25/h7-10H,2-6,11-19H2,1H3
InChIKeyDHKMNOKOSWDOEN-UHFFFAOYSA-N
XLogP3.54
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[4-(azepan-1-ylmethyl)benzoyl]-2-propyl-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

Related Compounds

7-(1-phenylcyclohexanecarbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175643999
(5S)-7-propyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97140470
(5R)-7-propyl-2-(1,2-thiazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97155237
7-(cyclopropylmethyl)-2-[4-(tetrazol-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72919228
2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175643015
7-(1-benzylpyrazolo[5,4-b]pyridine-3-carbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175643268
2-propyl-7-(1H-pyrazolo[5,4-b]pyridine-6-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175645430
(3-hydroxyazetidin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 74236555
(5S)-7-[(4-fluorophenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95721661
2-propyl-7-([1,2,4]triazolo[4,3-a]pyridine-8-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176500913
7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641011
(5S)-2-(1-oxidopyridin-1-ium-4-carbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42357494

Frequently Asked Questions

What is the IUPAC name of 7-[4-(azepan-1-ylmethyl)benzoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-[4-(azepan-1-ylmethyl)benzoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one (CID 176500159) is 7-[4-(azepan-1-ylmethyl)benzoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-[4-(azepan-1-ylmethyl)benzoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-[4-(azepan-1-ylmethyl)benzoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one is CCCN1CCC2(CCN(C(=O)c3ccc(CN4CCCCCC4)cc3)C2)C1=O.
What is the InChIKey of 7-[4-(azepan-1-ylmethyl)benzoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is DHKMNOKOSWDOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-2-13-26-16-11-24(23(26)29)12-17-27(19-24)22(28)21-9-7-20(8-10-21)18-25-14-5-3-4-6-15-25/h7-10H,2-6,11-19H2,1H3.
What are the key properties of 7-[4-(azepan-1-ylmethyl)benzoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one?
7-[4-(azepan-1-ylmethyl)benzoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 397.56 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(azepan-1-ylmethyl)benzoyl]-2-propyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 176500159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).