7-(cyclobutylmethyl)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

C20H30N4O2 — CID 72932839

IUPAC7-(cyclobutylmethyl)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ncn(CC(=O)N2CCC3(CCCN(CC4CCC4)C3=O)C2)c1C
InChIInChI=1S/C20H30N4O2/c1-15-16(2)24(14-21-15)12-18(25)23-10-8-20(13-23)7-4-9-22(19(20)26)11-17-5-3-6-17/h14,17H,3-13H2,1-2H3
InChIKeyPWLDIUHVELQLAS-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.14
Rot. Bonds4

About 7-(cyclobutylmethyl)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

7-(cyclobutylmethyl)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72932839) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 7-(cyclobutylmethyl)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclobutylmethyl)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72932839
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name7-(cyclobutylmethyl)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1ncn(CC(=O)N2CCC3(CCCN(CC4CCC4)C3=O)C2)c1C
InChIInChI=1S/C20H30N4O2/c1-15-16(2)24(14-21-15)12-18(25)23-10-8-20(13-23)7-4-9-22(19(20)26)11-17-5-3-6-17/h14,17H,3-13H2,1-2H3
InChIKeyPWLDIUHVELQLAS-UHFFFAOYSA-N
XLogP2.14
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutylmethyl)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclobutylmethyl)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72932839) is 7-(cyclobutylmethyl)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclobutylmethyl)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclobutylmethyl)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is Cc1ncn(CC(=O)N2CCC3(CCCN(CC4CCC4)C3=O)C2)c1C.
What is the InChIKey of 7-(cyclobutylmethyl)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is PWLDIUHVELQLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-15-16(2)24(14-21-15)12-18(25)23-10-8-20(13-23)7-4-9-22(19(20)26)11-17-5-3-6-17/h14,17H,3-13H2,1-2H3.
What are the key properties of 7-(cyclobutylmethyl)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclobutylmethyl)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 358.49 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutylmethyl)-2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72932839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).