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

C19H32N4O2 — CID 70716908

IUPAC2-(3-hydroxypropyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nccn1CCCN1CCC2(CCC(=O)N(CCCO)C2)CC1
InChIInChI=1S/C19H32N4O2/c1-17-20-8-14-22(17)10-2-9-21-12-6-19(7-13-21)5-4-18(25)23(16-19)11-3-15-24/h8,14,24H,2-7,9-13,15-16H2,1H3
InChIKeyXQUMKZCHCTWDJS-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.67
Rot. Bonds7

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

2-(3-hydroxypropyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70716908) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70716908
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name2-(3-hydroxypropyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nccn1CCCN1CCC2(CCC(=O)N(CCCO)C2)CC1
InChIInChI=1S/C19H32N4O2/c1-17-20-8-14-22(17)10-2-9-21-12-6-19(7-13-21)5-4-18(25)23(16-19)11-3-15-24/h8,14,24H,2-7,9-13,15-16H2,1H3
InChIKeyXQUMKZCHCTWDJS-UHFFFAOYSA-N
XLogP1.67
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70716908) is 2-(3-hydroxypropyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1nccn1CCCN1CCC2(CCC(=O)N(CCCO)C2)CC1.
What is the InChIKey of 2-(3-hydroxypropyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is XQUMKZCHCTWDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-17-20-8-14-22(17)10-2-9-21-12-6-19(7-13-21)5-4-18(25)23(16-19)11-3-15-24/h8,14,24H,2-7,9-13,15-16H2,1H3.
What are the key properties of 2-(3-hydroxypropyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(3-hydroxypropyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 348.49 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-9-[3-(2-methylimidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70716908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).