2-(2-hydroxyethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one

C18H30N4O2 — CID 70714278

IUPAC2-(2-hydroxyethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nccn1CCCN1CCC2(CCC(=O)N(CCO)C2)CC1
InChIInChI=1S/C18H30N4O2/c1-16-19-7-12-21(16)9-2-8-20-10-5-18(6-11-20)4-3-17(24)22(15-18)13-14-23/h7,12,23H,2-6,8-11,13-15H2,1H3
InChIKeyFFZZNHLAYRCFBP-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.28
Rot. Bonds6

About 2-(2-hydroxyethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(2-hydroxyethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70714278) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70714278
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-(2-hydroxyethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nccn1CCCN1CCC2(CCC(=O)N(CCO)C2)CC1
InChIInChI=1S/C18H30N4O2/c1-16-19-7-12-21(16)9-2-8-20-10-5-18(6-11-20)4-3-17(24)22(15-18)13-14-23/h7,12,23H,2-6,8-11,13-15H2,1H3
InChIKeyFFZZNHLAYRCFBP-UHFFFAOYSA-N
XLogP1.28
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-hydroxyethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70714278) is 2-(2-hydroxyethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1nccn1CCCN1CCC2(CCC(=O)N(CCO)C2)CC1.
What is the InChIKey of 2-(2-hydroxyethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FFZZNHLAYRCFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-16-19-7-12-21(16)9-2-8-20-10-5-18(6-11-20)4-3-17(24)22(15-18)13-14-23/h7,12,23H,2-6,8-11,13-15H2,1H3.
What are the key properties of 2-(2-hydroxyethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxyethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 334.46 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70714278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).