3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one

C15H25N3O2 — CID 84577951

IUPAC3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(CCC(=O)N2CC(C)CC(C)C2)c1C
InChIInChI=1S/C15H25N3O2/c1-10-7-11(2)9-17(8-10)14(19)5-6-18-13(4)12(3)16-15(18)20/h10-11H,5-9H2,1-4H3,(H,16,20)
InChIKeyVJDHCOWQUKQEGD-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.69
Rot. Bonds3

About 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one

3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one (PubChem CID 84577951) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one
PubChem CID84577951
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(CCC(=O)N2CC(C)CC(C)C2)c1C
InChIInChI=1S/C15H25N3O2/c1-10-7-11(2)9-17(8-10)14(19)5-6-18-13(4)12(3)16-15(18)20/h10-11H,5-9H2,1-4H3,(H,16,20)
InChIKeyVJDHCOWQUKQEGD-UHFFFAOYSA-N
XLogP1.69
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2,6-dimethylpiperidin-1-yl)-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one
CID 84577592
4,5-dimethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1H-imidazol-2-one
CID 84577381
3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one
CID 84578028
3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 4170830
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione
CID 896367
1-[3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118205
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 39891722
3-chloro-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 40560802
4,5-dimethyl-3-propyl-1H-imidazol-2-one
CID 131155621
ethyl 1-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-2-methyl-5-phenylpyrrole-3-carboxylate
CID 3608249
5-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 16882516
methyl 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-oxobutanoate
CID 94020551

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one?
The IUPAC name of 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one (CID 84577951) is 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one.
What is the SMILES notation for 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one?
The canonical SMILES for 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one is Cc1[nH]c(=O)n(CCC(=O)N2CC(C)CC(C)C2)c1C.
What is the InChIKey of 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one?
The InChIKey is VJDHCOWQUKQEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10-7-11(2)9-17(8-10)14(19)5-6-18-13(4)12(3)16-15(18)20/h10-11H,5-9H2,1-4H3,(H,16,20).
What are the key properties of 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one?
3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one has a molecular weight of 279.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-4,5-dimethyl-1H-imidazol-2-one is sourced from PubChem (CID 84577951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).