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

C14H23N3O2 — CID 84577381

IUPAC4,5-dimethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(CCC(=O)N2CCCCC2C)c1C
InChIInChI=1S/C14H23N3O2/c1-10-6-4-5-8-16(10)13(18)7-9-17-12(3)11(2)15-14(17)19/h10H,4-9H2,1-3H3,(H,15,19)
InChIKeyVTXNXKLTDHLOIY-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.58
Rot. Bonds3

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

4,5-dimethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1H-imidazol-2-one (PubChem CID 84577381) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4,5-dimethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name4,5-dimethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1H-imidazol-2-one
PubChem CID84577381
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4,5-dimethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1H-imidazol-2-one
SMILESCc1[nH]c(=O)n(CCC(=O)N2CCCCC2C)c1C
InChIInChI=1S/C14H23N3O2/c1-10-6-4-5-8-16(10)13(18)7-9-17-12(3)11(2)15-14(17)19/h10H,4-9H2,1-3H3,(H,15,19)
InChIKeyVTXNXKLTDHLOIY-UHFFFAOYSA-N
XLogP1.58
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.58
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
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
1-(2-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82511230
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
3-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione
CID 32747148
1-(2-methylpiperidin-1-yl)dodecan-1-one
CID 3275984
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
CID 60650037
3-(dimethylamino)-1-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]quinoxalin-2-one
CID 91951068
2-[4-(2-methylpiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 18074489
3-(3,5-dimethylphenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 134060467

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1H-imidazol-2-one?
The IUPAC name of 4,5-dimethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1H-imidazol-2-one (CID 84577381) is 4,5-dimethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1H-imidazol-2-one.
What is the SMILES notation for 4,5-dimethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1H-imidazol-2-one?
The canonical SMILES for 4,5-dimethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1H-imidazol-2-one is Cc1[nH]c(=O)n(CCC(=O)N2CCCCC2C)c1C.
What is the InChIKey of 4,5-dimethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1H-imidazol-2-one?
The InChIKey is VTXNXKLTDHLOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-6-4-5-8-16(10)13(18)7-9-17-12(3)11(2)15-14(17)19/h10H,4-9H2,1-3H3,(H,15,19).
What are the key properties of 4,5-dimethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1H-imidazol-2-one?
4,5-dimethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1H-imidazol-2-one has a molecular weight of 265.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-1H-imidazol-2-one is sourced from PubChem (CID 84577381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).