8-(cyclopentanecarbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

C20H30N4O2 — CID 70706292

IUPAC8-(cyclopentanecarbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(C(=O)C3CCCC3)C2)CN1CCc1cnc[nH]1
InChIInChI=1S/C20H30N4O2/c25-18-6-9-20(13-23(18)11-7-17-12-21-15-22-17)8-3-10-24(14-20)19(26)16-4-1-2-5-16/h12,15-16H,1-11,13-14H2,(H,21,22)
InChIKeyYLCMJRNMIRDQGP-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.37
Rot. Bonds4

About 8-(cyclopentanecarbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

8-(cyclopentanecarbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70706292) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 8-(cyclopentanecarbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(cyclopentanecarbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70706292
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name8-(cyclopentanecarbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(C(=O)C3CCCC3)C2)CN1CCc1cnc[nH]1
InChIInChI=1S/C20H30N4O2/c25-18-6-9-20(13-23(18)11-7-17-12-21-15-22-17)8-3-10-24(14-20)19(26)16-4-1-2-5-16/h12,15-16H,1-11,13-14H2,(H,21,22)
InChIKeyYLCMJRNMIRDQGP-UHFFFAOYSA-N
XLogP2.37
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopentanecarbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(cyclopentanecarbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70706292) is 8-(cyclopentanecarbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(cyclopentanecarbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(cyclopentanecarbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(C(=O)C3CCCC3)C2)CN1CCc1cnc[nH]1.
What is the InChIKey of 8-(cyclopentanecarbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is YLCMJRNMIRDQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c25-18-6-9-20(13-23(18)11-7-17-12-21-15-22-17)8-3-10-24(14-20)19(26)16-4-1-2-5-16/h12,15-16H,1-11,13-14H2,(H,21,22).
What are the key properties of 8-(cyclopentanecarbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
8-(cyclopentanecarbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 358.49 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopentanecarbonyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70706292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).