2,8-diazaspiro[5.5]undecan-2-yl-[4-(2,3-dihydropyrrol-1-yl)phenyl]methanone

C20H27N3O — CID 141337050

IUPAC2,8-diazaspiro[5.5]undecan-2-yl-[4-(2,3-dihydropyrrol-1-yl)phenyl]methanone
SMILESO=C(c1ccc(N2C=CCC2)cc1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C20H27N3O/c24-19(17-5-7-18(8-6-17)22-12-1-2-13-22)23-14-4-10-20(16-23)9-3-11-21-15-20/h1,5-8,12,21H,2-4,9-11,13-16H2
InChIKeyBSVWFUCRVBOCBA-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.02
Rot. Bonds2

About 2,8-diazaspiro[5.5]undecan-2-yl-[4-(2,3-dihydropyrrol-1-yl)phenyl]methanone

2,8-diazaspiro[5.5]undecan-2-yl-[4-(2,3-dihydropyrrol-1-yl)phenyl]methanone (PubChem CID 141337050) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2,8-diazaspiro[5.5]undecan-2-yl-[4-(2,3-dihydropyrrol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name2,8-diazaspiro[5.5]undecan-2-yl-[4-(2,3-dihydropyrrol-1-yl)phenyl]methanone
PubChem CID141337050
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2,8-diazaspiro[5.5]undecan-2-yl-[4-(2,3-dihydropyrrol-1-yl)phenyl]methanone
SMILESO=C(c1ccc(N2C=CCC2)cc1)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C20H27N3O/c24-19(17-5-7-18(8-6-17)22-12-1-2-13-22)23-14-4-10-20(16-23)9-3-11-21-15-20/h1,5-8,12,21H,2-4,9-11,13-16H2
InChIKeyBSVWFUCRVBOCBA-UHFFFAOYSA-N
XLogP3.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone
CID 102849889
(4-bromo-3-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849604
2,9-diazaspiro[4.5]decan-2-yl-[4-(1,3-dihydroisoindol-2-yl)phenyl]methanone
CID 141337202
2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone
CID 102849694
2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone
CID 102849786
2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone
CID 102849563
2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone
CID 102849918
(3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849851
2,8-diazaspiro[5.5]undecan-2-yl-(3-fluorophenyl)methanone;hydrochloride
CID 155841850
(5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849841
2,8-diazaspiro[5.5]undecan-2-yl(1,3-thiazol-5-yl)methanone
CID 114031315
1-[3-[4-(2,7-diazaspiro[4.5]decane-7-carbonyl)phenyl]-4-fluorophenyl]ethanone
CID 119063833

Frequently Asked Questions

What is the IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-[4-(2,3-dihydropyrrol-1-yl)phenyl]methanone?
The IUPAC name of 2,8-diazaspiro[5.5]undecan-2-yl-[4-(2,3-dihydropyrrol-1-yl)phenyl]methanone (CID 141337050) is 2,8-diazaspiro[5.5]undecan-2-yl-[4-(2,3-dihydropyrrol-1-yl)phenyl]methanone.
What is the SMILES notation for 2,8-diazaspiro[5.5]undecan-2-yl-[4-(2,3-dihydropyrrol-1-yl)phenyl]methanone?
The canonical SMILES for 2,8-diazaspiro[5.5]undecan-2-yl-[4-(2,3-dihydropyrrol-1-yl)phenyl]methanone is O=C(c1ccc(N2C=CCC2)cc1)N1CCCC2(CCCNC2)C1.
What is the InChIKey of 2,8-diazaspiro[5.5]undecan-2-yl-[4-(2,3-dihydropyrrol-1-yl)phenyl]methanone?
The InChIKey is BSVWFUCRVBOCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c24-19(17-5-7-18(8-6-17)22-12-1-2-13-22)23-14-4-10-20(16-23)9-3-11-21-15-20/h1,5-8,12,21H,2-4,9-11,13-16H2.
What are the key properties of 2,8-diazaspiro[5.5]undecan-2-yl-[4-(2,3-dihydropyrrol-1-yl)phenyl]methanone?
2,8-diazaspiro[5.5]undecan-2-yl-[4-(2,3-dihydropyrrol-1-yl)phenyl]methanone has a molecular weight of 325.46 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diazaspiro[5.5]undecan-2-yl-[4-(2,3-dihydropyrrol-1-yl)phenyl]methanone is sourced from PubChem (CID 141337050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).