1-[3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one

C16H28N4O — CID 131945464

IUPAC1-[3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCCc1nc(CNC2CCCN(C(=O)C(C)C)C2)c(C)[nH]1
InChIInChI=1S/C16H28N4O/c1-5-15-18-12(4)14(19-15)9-17-13-7-6-8-20(10-13)16(21)11(2)3/h11,13,17H,5-10H2,1-4H3,(H,18,19)
InChIKeyLHHHCLLLTJAGTJ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.02
Rot. Bonds5

About 1-[3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one

1-[3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 131945464) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID131945464
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCCc1nc(CNC2CCCN(C(=O)C(C)C)C2)c(C)[nH]1
InChIInChI=1S/C16H28N4O/c1-5-15-18-12(4)14(19-15)9-17-13-7-6-8-20(10-13)16(21)11(2)3/h11,13,17H,5-10H2,1-4H3,(H,18,19)
InChIKeyLHHHCLLLTJAGTJ-UHFFFAOYSA-N
XLogP2.02
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

2-methyl-1-[3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
CID 131894675
1-[3-[(1-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 131892234
1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 83998592
2-methyl-1-[(3S)-3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]propan-1-one
CID 71047048
[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone
CID 134697790
N-[1-(2-methylpropanoyl)piperidin-3-yl]-6-oxo-1H-pyridine-2-carboxamide
CID 131948637
2-methyl-1-[(3R)-3-(pyrazin-2-ylamino)piperidin-1-yl]propan-1-one
CID 125437337
(3R)-3-(dimethylsulfamoylamino)-1-(2-methylpropanoyl)piperidine
CID 125447905
2-methyl-1-[(3S)-3-(6-methyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 95821462
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
1-[3-[4,6-dimethyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 110083265
3,3,3-trifluoro-1-[3-(propylamino)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one
CID 103308959

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one (CID 131945464) is 1-[3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one is CCc1nc(CNC2CCCN(C(=O)C(C)C)C2)c(C)[nH]1.
What is the InChIKey of 1-[3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is LHHHCLLLTJAGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-15-18-12(4)14(19-15)9-17-13-7-6-8-20(10-13)16(21)11(2)3/h11,13,17H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 1-[3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
1-[3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 292.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 131945464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).