8-(1H-imidazol-2-ylmethyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

C16H26N4O2 — CID 72852965

IUPAC8-(1H-imidazol-2-ylmethyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(Cc3ncc[nH]3)CC2)CC1=O
InChIInChI=1S/C16H26N4O2/c1-22-10-2-7-20-13-16(11-15(20)21)3-8-19(9-4-16)12-14-17-5-6-18-14/h5-6H,2-4,7-13H2,1H3,(H,17,18)
InChIKeyKLMPICIFDUURNK-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.26
Rot. Bonds6

About 8-(1H-imidazol-2-ylmethyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

8-(1H-imidazol-2-ylmethyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72852965) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 8-(1H-imidazol-2-ylmethyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(1H-imidazol-2-ylmethyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72852965
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name8-(1H-imidazol-2-ylmethyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCN(Cc3ncc[nH]3)CC2)CC1=O
InChIInChI=1S/C16H26N4O2/c1-22-10-2-7-20-13-16(11-15(20)21)3-8-19(9-4-16)12-14-17-5-6-18-14/h5-6H,2-4,7-13H2,1H3,(H,17,18)
InChIKeyKLMPICIFDUURNK-UHFFFAOYSA-N
XLogP1.26
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-4-[(2,2-dimethylpropanoyl)amino]-N-(1H-imidazol-2-ylmethyl)-1-methylpyrrolidine-2-carboxamide
CID 56718025
8-(1H-imidazol-2-ylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 70777182
8-(1H-imidazol-2-ylmethyl)-2-(3-methyl-2-buten-1-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 72867383
4-{[4-(1H-imidazol-2-yl)-1-piperidinyl]carbonyl}-1-methyl-2-imidazolidinone
CID 70773690
4-(1H-imidazol-2-yl)-1-(pyrrolidin-3-ylacetyl)piperidine
CID 77094981
1-(2,2-dimethylpropyl)-3-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]piperidin-2-one
CID 126824246
(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 164629507
N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-3-oxo-2,7-diazaspiro[4.5]decane-7-carboximidamide
CID 120055358
N'-methyl-3-oxo-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,7-diazaspiro[4.5]decane-7-carboximidamide
CID 120055612
N-ethyl-3-oxo-N'-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,7-diazaspiro[4.5]decane-7-carboximidamide
CID 120056092
[(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 120471328
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 132304839

Frequently Asked Questions

What is the IUPAC name of 8-(1H-imidazol-2-ylmethyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(1H-imidazol-2-ylmethyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72852965) is 8-(1H-imidazol-2-ylmethyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(1H-imidazol-2-ylmethyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(1H-imidazol-2-ylmethyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one is COCCCN1CC2(CCN(Cc3ncc[nH]3)CC2)CC1=O.
What is the InChIKey of 8-(1H-imidazol-2-ylmethyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is KLMPICIFDUURNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-22-10-2-7-20-13-16(11-15(20)21)3-8-19(9-4-16)12-14-17-5-6-18-14/h5-6H,2-4,7-13H2,1H3,(H,17,18).
What are the key properties of 8-(1H-imidazol-2-ylmethyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(1H-imidazol-2-ylmethyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 306.41 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-imidazol-2-ylmethyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72852965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).