2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one

C12H24N2O — CID 43747822

IUPAC2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one
SMILESCC(C)NC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-9(2)12(15)14-7-5-11(6-8-14)13-10(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyVAESDUBCDIALGO-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds3

About 2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one

2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one (PubChem CID 43747822) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one
PubChem CID43747822
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one
SMILESCC(C)NC1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-9(2)12(15)14-7-5-11(6-8-14)13-10(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyVAESDUBCDIALGO-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 43747773
2-methyl-1-[4-[1-(1-methylpiperidin-4-yl)ethylamino]piperidin-1-yl]propan-1-one
CID 43747768
1-[4-[(2,6-dimethylcyclohexyl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747778
2-methyl-1-[2-(propan-2-ylamino)-7-azaspiro[3.5]nonan-7-yl]propan-1-one
CID 164567308
2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid
CID 114898097
2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide
CID 159759290
4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide
CID 127236629
methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 143298111
1-[4-[(2,2-dimethylcyclopentyl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 79859942
2-methyl-1-[4-[1-(2-methylpropanoyl)piperidin-4-yl]oxypiperidin-1-yl]propan-1-one
CID 165116537
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
(2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide
CID 103808776

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one (CID 43747822) is 2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one is CC(C)NC1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one?
The InChIKey is VAESDUBCDIALGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)12(15)14-7-5-11(6-8-14)13-10(3)4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one?
2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 43747822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).