[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylimidazol-2-yl)methanone

C14H22N4O2 — CID 91921707

IUPAC[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)N1CC(CO)C2(CCNCC2)C1
InChIInChI=1S/C14H22N4O2/c1-17-7-6-16-12(17)13(20)18-8-11(9-19)14(10-18)2-4-15-5-3-14/h6-7,11,15,19H,2-5,8-10H2,1H3
InChIKeyWYCFIGFPQWJQDS-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.15
Rot. Bonds2

About [4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylimidazol-2-yl)methanone

[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 91921707) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID91921707
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)N1CC(CO)C2(CCNCC2)C1
InChIInChI=1S/C14H22N4O2/c1-17-7-6-16-12(17)13(20)18-8-11(9-19)14(10-18)2-4-15-5-3-14/h6-7,11,15,19H,2-5,8-10H2,1H3
InChIKeyWYCFIGFPQWJQDS-UHFFFAOYSA-N
XLogP-0.15
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylimidazol-2-yl)methanone 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

N-[[(1R,3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide
CID 97459850
N-[[(1R,3aR,7aR)-5-propyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide
CID 97459851
N-[[(1R,3aR,7aR)-5-(cyclopropylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]methyl]-1-methylimidazole-2-carboxamide
CID 97459852
[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 110197507
[4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl](1-methyl-1H-imidazol-2-yl)methanone
CID 91922006
N-methyl-4-{1-[(1-methyl-1H-imidazol-2-yl)carbonyl]tetrahydro-1H-pyrrol-3-yl}tetrahydro-1(2H)-pyridinecarboxamide
CID 91921373
[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-8-yl](1-methyl-1H-imidazol-2-yl)methanone
CID 91922209
2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 75430289
(2S)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 126429175
[(3R*,5R*)-1-[3-(2-ethyl-1H-imidazol-1-yl)propanoyl]-5-(pyrrolidin-1-ylmethyl)piperidin-3-yl]methanol
CID 70763005
2-[(3R)-3-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 97236478
2-[(3R)-3-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 97236479

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylimidazol-2-yl)methanone (CID 91921707) is [4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)N1CC(CO)C2(CCNCC2)C1.
What is the InChIKey of [4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is WYCFIGFPQWJQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-17-7-6-16-12(17)13(20)18-8-11(9-19)14(10-18)2-4-15-5-3-14/h6-7,11,15,19H,2-5,8-10H2,1H3.
What are the key properties of [4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylimidazol-2-yl)methanone?
[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 278.36 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 91921707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).