1-[2-(2-pyrrol-1-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone

C22H27N3O2 — CID 97407738

IUPAC1-[2-(2-pyrrol-1-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
SMILESCC(=O)N1CCC2(CCCN(C(=O)c3ccccc3-n3cccc3)C2)CC1
InChIInChI=1S/C22H27N3O2/c1-18(26)23-15-10-22(11-16-23)9-6-14-25(17-22)21(27)19-7-2-3-8-20(19)24-12-4-5-13-24/h2-5,7-8,12-13H,6,9-11,14-17H2,1H3
InChIKeyNJEIVOHSXVULML-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.34
Rot. Bonds2

About 1-[2-(2-pyrrol-1-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone

1-[2-(2-pyrrol-1-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone (PubChem CID 97407738) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[2-(2-pyrrol-1-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-pyrrol-1-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
PubChem CID97407738
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-[2-(2-pyrrol-1-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
SMILESCC(=O)N1CCC2(CCCN(C(=O)c3ccccc3-n3cccc3)C2)CC1
InChIInChI=1S/C22H27N3O2/c1-18(26)23-15-10-22(11-16-23)9-6-14-25(17-22)21(27)19-7-2-3-8-20(19)24-12-4-5-13-24/h2-5,7-8,12-13H,6,9-11,14-17H2,1H3
InChIKeyNJEIVOHSXVULML-UHFFFAOYSA-N
XLogP3.34
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-pyrrol-1-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-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

but-2-ynyl 8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 3605670
methyl 2-acetamido-4-oxo-4-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]butanoate
CID 3275546
methyl (1S,6R)-6-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]cyclohex-3-ene-1-carboxylate
CID 74226866
N-(9H-fluoren-9-yl)-8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 4994522
4-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-1,3-thiazolidin-2-one
CID 5167455
[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]-(2-pyrrol-1-ylphenyl)methanone
CID 138026772
[2-(4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-pyrrol-1-ylphenyl)methanone
CID 3550190
3-[2-(2-azaspiro[4.5]decane-2-carbonyl)phenyl]propanoic acid
CID 126833634
1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one
CID 155874685
methyl 2-benzamido-4-oxo-4-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]butanoate
CID 3765275
N-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]thiophene-2-carboxamide
CID 5005684
(4S)-3-[2-oxo-2-[8-(2-pyrrol-1-ylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]ethyl]-4-phenyl-1,3-oxazolidin-2-one
CID 74227623

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-pyrrol-1-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The IUPAC name of 1-[2-(2-pyrrol-1-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone (CID 97407738) is 1-[2-(2-pyrrol-1-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone.
What is the SMILES notation for 1-[2-(2-pyrrol-1-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The canonical SMILES for 1-[2-(2-pyrrol-1-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone is CC(=O)N1CCC2(CCCN(C(=O)c3ccccc3-n3cccc3)C2)CC1.
What is the InChIKey of 1-[2-(2-pyrrol-1-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The InChIKey is NJEIVOHSXVULML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-18(26)23-15-10-22(11-16-23)9-6-14-25(17-22)21(27)19-7-2-3-8-20(19)24-12-4-5-13-24/h2-5,7-8,12-13H,6,9-11,14-17H2,1H3.
What are the key properties of 1-[2-(2-pyrrol-1-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone?
1-[2-(2-pyrrol-1-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone has a molecular weight of 365.48 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-pyrrol-1-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone is sourced from PubChem (CID 97407738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).