2-methyl-1-[3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one

C16H28N4O — CID 131894675

IUPAC2-methyl-1-[3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
SMILESCc1nc(CNC2CCCN(C(=O)C(C)C)C2)n(C)c1C
InChIInChI=1S/C16H28N4O/c1-11(2)16(21)20-8-6-7-14(10-20)17-9-15-18-12(3)13(4)19(15)5/h11,14,17H,6-10H2,1-5H3
InChIKeyWZWPONZUXKWIFN-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.77
Rot. Bonds4

About 2-methyl-1-[3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one

2-methyl-1-[3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one (PubChem CID 131894675) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-methyl-1-[3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
PubChem CID131894675
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-methyl-1-[3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
SMILESCc1nc(CNC2CCCN(C(=O)C(C)C)C2)n(C)c1C
InChIInChI=1S/C16H28N4O/c1-11(2)16(21)20-8-6-7-14(10-20)17-9-15-18-12(3)13(4)19(15)5/h11,14,17H,6-10H2,1-5H3
InChIKeyWZWPONZUXKWIFN-UHFFFAOYSA-N
XLogP1.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[3-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 131945464
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
1-[3-(methylamino)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 119488745
1-[3-[4,6-dimethyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 110083265
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
1,6-dimethyl-N-[(3R)-1-(2-methylpropanoyl)piperidin-3-yl]-4-oxopyridine-3-carboxamide
CID 126427357
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241777
2-methyl-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 110256025

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one (CID 131894675) is 2-methyl-1-[3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one is Cc1nc(CNC2CCCN(C(=O)C(C)C)C2)n(C)c1C.
What is the InChIKey of 2-methyl-1-[3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one?
The InChIKey is WZWPONZUXKWIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11(2)16(21)20-8-6-7-14(10-20)17-9-15-18-12(3)13(4)19(15)5/h11,14,17H,6-10H2,1-5H3.
What are the key properties of 2-methyl-1-[3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one?
2-methyl-1-[3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one has a molecular weight of 292.43 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 131894675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).