4-(2-hydroxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one

C16H27N5O2 — CID 97495743

IUPAC4-(2-hydroxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCN1CCN(CCO)C(=O)C12CCN(Cc1nccn1C)CC2
InChIInChI=1S/C16H27N5O2/c1-18-8-5-17-14(18)13-20-6-3-16(4-7-20)15(23)21(11-12-22)10-9-19(16)2/h5,8,22H,3-4,6-7,9-13H2,1-2H3
InChIKeyPKBWHCPQMRCIQA-UHFFFAOYSA-N
MW321.43 g/mol
LogP-0.48
Rot. Bonds4

About 4-(2-hydroxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one

4-(2-hydroxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97495743) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97495743
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name4-(2-hydroxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCN1CCN(CCO)C(=O)C12CCN(Cc1nccn1C)CC2
InChIInChI=1S/C16H27N5O2/c1-18-8-5-17-14(18)13-20-6-3-16(4-7-20)15(23)21(11-12-22)10-9-19(16)2/h5,8,22H,3-4,6-7,9-13H2,1-2H3
InChIKeyPKBWHCPQMRCIQA-UHFFFAOYSA-N
XLogP-0.48
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-hydroxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[(1-Methylimidazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 53559966
1-[4-[[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 56802163
(1-methyl-1H-imidazol-2-yl){1-[(1-propyl-4-piperidinyl)acetyl]-4-piperidinyl}methanol
CID 72849022
1-(methoxyacetyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72880226
1-[(1-isopropyl-4-piperidinyl)acetyl]-4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazine
CID 72880762
{1-[(1-isopropyl-4-piperidinyl)carbonyl]-4-piperidinyl}(1-methyl-1H-imidazol-2-yl)methanol
CID 72881062
{1-[(1-isopropyl-4-piperidinyl)acetyl]-4-piperidinyl}(1-methyl-1H-imidazol-2-yl)methanol
CID 72890404
1-(cyclopropylcarbonyl)-N-(2-hydroxyethyl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-piperidinecarboxamide
CID 72926706
2-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 75369808
[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 110197507
2-(2-hydroxypropyl)-9-[3-(1H-imidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72930944
(2R)-1-[4-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinyl]-1-oxo-2-propanol
CID 72890666

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 4-(2-hydroxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97495743) is 4-(2-hydroxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 4-(2-hydroxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one is CN1CCN(CCO)C(=O)C12CCN(Cc1nccn1C)CC2.
What is the InChIKey of 4-(2-hydroxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is PKBWHCPQMRCIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-18-8-5-17-14(18)13-20-6-3-16(4-7-20)15(23)21(11-12-22)10-9-19(16)2/h5,8,22H,3-4,6-7,9-13H2,1-2H3.
What are the key properties of 4-(2-hydroxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
4-(2-hydroxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 321.43 g/mol, XLogP of -0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1-methyl-9-[(1-methylimidazol-2-yl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97495743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).