2-[(3-cyclopentylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one

C20H32N4O — CID 72889268

IUPAC2-[(3-cyclopentylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCCC2(CCN(Cc3cncn3C3CCCC3)C2)C1=O
InChIInChI=1S/C20H32N4O/c1-2-10-23-11-5-8-20(19(23)25)9-12-22(15-20)14-18-13-21-16-24(18)17-6-3-4-7-17/h13,16-17H,2-12,14-15H2,1H3
InChIKeyHWOBSRVHTCDSRJ-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.22
Rot. Bonds5

About 2-[(3-cyclopentylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one

2-[(3-cyclopentylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72889268) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-[(3-cyclopentylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[(3-cyclopentylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72889268
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name2-[(3-cyclopentylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCCC2(CCN(Cc3cncn3C3CCCC3)C2)C1=O
InChIInChI=1S/C20H32N4O/c1-2-10-23-11-5-8-20(19(23)25)9-12-22(15-20)14-18-13-21-16-24(18)17-6-3-4-7-17/h13,16-17H,2-12,14-15H2,1H3
InChIKeyHWOBSRVHTCDSRJ-UHFFFAOYSA-N
XLogP3.22
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1H-imidazol-1-yl)butanoyl]-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one
CID 72873945
2-[(3-Cyclohexylimidazol-4-yl)methyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72933218
2-[(3-Cyclohexylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 86286878
7-cyclopentyl-2-[4-(1H-imidazol-1-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72841640
2-(1-Cyclopentanecarbonylpyrrolidin-3-YL)-5-methyl-1-propyl-1H-imidazole
CID 110203816
1-Cyclopentanecarbonyl-3-[(5-methyl-1-propyl-1H-imidazol-2-YL)methyl]piperidine
CID 124078666
(5S)-7-cyclopentyl-2-(1H-imidazol-5-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97116501
1-[(1-methyl-1H-imidazol-5-yl)carbonyl]-4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine
CID 118766442
(1R,2S)-N-[(1-methylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide
CID 136587695
[4-(5-methylimidazol-1-yl)piperidin-1-yl]-[(1R,3S)-1,2,2,3-tetramethylcyclopentyl]methanone
CID 137995603
2,2-dimethyl-1-[(2R)-2-[2-(5-methyl-1-propan-2-ylimidazol-2-yl)ethyl]pyrrolidin-1-yl]butan-1-one
CID 164635508
cyclopentyl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 164636841

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopentylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[(3-cyclopentylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one (CID 72889268) is 2-[(3-cyclopentylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[(3-cyclopentylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[(3-cyclopentylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one is CCCN1CCCC2(CCN(Cc3cncn3C3CCCC3)C2)C1=O.
What is the InChIKey of 2-[(3-cyclopentylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is HWOBSRVHTCDSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-2-10-23-11-5-8-20(19(23)25)9-12-22(15-20)14-18-13-21-16-24(18)17-6-3-4-7-17/h13,16-17H,2-12,14-15H2,1H3.
What are the key properties of 2-[(3-cyclopentylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
2-[(3-cyclopentylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 344.50 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopentylimidazol-4-yl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72889268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).