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

C18H29N5O2 — CID 70755439

IUPAC8-[2-(dimethylamino)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CC(=O)N1CCCC2(CCC(=O)N(CCc3cnc[nH]3)C2)C1
InChIInChI=1S/C18H29N5O2/c1-21(2)11-17(25)22-8-3-6-18(12-22)7-4-16(24)23(13-18)9-5-15-10-19-14-20-15/h10,14H,3-9,11-13H2,1-2H3,(H,19,20)
InChIKeyZECVIGOLFCPVCB-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.75
Rot. Bonds5

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

8-[2-(dimethylamino)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70755439) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 8-[2-(dimethylamino)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-[2-(dimethylamino)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70755439
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name8-[2-(dimethylamino)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCN(C)CC(=O)N1CCCC2(CCC(=O)N(CCc3cnc[nH]3)C2)C1
InChIInChI=1S/C18H29N5O2/c1-21(2)11-17(25)22-8-3-6-18(12-22)7-4-16(24)23(13-18)9-5-15-10-19-14-20-15/h10,14H,3-9,11-13H2,1-2H3,(H,19,20)
InChIKeyZECVIGOLFCPVCB-UHFFFAOYSA-N
XLogP0.75
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(dimethylamino)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-[2-(dimethylamino)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70755439) is 8-[2-(dimethylamino)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-[2-(dimethylamino)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-[2-(dimethylamino)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is CN(C)CC(=O)N1CCCC2(CCC(=O)N(CCc3cnc[nH]3)C2)C1.
What is the InChIKey of 8-[2-(dimethylamino)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZECVIGOLFCPVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-21(2)11-17(25)22-8-3-6-18(12-22)7-4-16(24)23(13-18)9-5-15-10-19-14-20-15/h10,14H,3-9,11-13H2,1-2H3,(H,19,20).
What are the key properties of 8-[2-(dimethylamino)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
8-[2-(dimethylamino)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 347.46 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(dimethylamino)acetyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70755439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).