2-(3-hydroxypropyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C17H28N4O2 — CID 70733352

IUPAC2-(3-hydroxypropyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCn1ccnc1CN1CCCC2(CCC(=O)N(CCCO)C2)C1
InChIInChI=1S/C17H28N4O2/c1-19-10-7-18-15(19)12-20-8-2-5-17(13-20)6-4-16(23)21(14-17)9-3-11-22/h7,10,22H,2-6,8-9,11-14H2,1H3
InChIKeyNMVXARSHAVJIRO-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.01
Rot. Bonds5

About 2-(3-hydroxypropyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

2-(3-hydroxypropyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70733352) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70733352
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-(3-hydroxypropyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCn1ccnc1CN1CCCC2(CCC(=O)N(CCCO)C2)C1
InChIInChI=1S/C17H28N4O2/c1-19-10-7-18-15(19)12-20-8-2-5-17(13-20)6-4-16(23)21(14-17)9-3-11-22/h7,10,22H,2-6,8-9,11-14H2,1H3
InChIKeyNMVXARSHAVJIRO-UHFFFAOYSA-N
XLogP1.01
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70733352) is 2-(3-hydroxypropyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is Cn1ccnc1CN1CCCC2(CCC(=O)N(CCCO)C2)C1.
What is the InChIKey of 2-(3-hydroxypropyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is NMVXARSHAVJIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-19-10-7-18-15(19)12-20-8-2-5-17(13-20)6-4-16(23)21(14-17)9-3-11-22/h7,10,22H,2-6,8-9,11-14H2,1H3.
What are the key properties of 2-(3-hydroxypropyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-(3-hydroxypropyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 320.44 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70733352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).