2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one

C14H27N3O — CID 39256559

IUPAC2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
SMILESCC1CCN(C(C)(C)C(=O)N2CCNCC2)CC1
InChIInChI=1S/C14H27N3O/c1-12-4-8-17(9-5-12)14(2,3)13(18)16-10-6-15-7-11-16/h12,15H,4-11H2,1-3H3
InChIKeyQWFWNRUZZHGVJY-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.93
Rot. Bonds2

About 2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one

2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 39256559) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID39256559
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
SMILESCC1CCN(C(C)(C)C(=O)N2CCNCC2)CC1
InChIInChI=1S/C14H27N3O/c1-12-4-8-17(9-5-12)14(2,3)13(18)16-10-6-15-7-11-16/h12,15H,4-11H2,1-3H3
InChIKeyQWFWNRUZZHGVJY-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one with MolForge

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Related Compounds

2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103812458
methyl 1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-4-carboxylate
CID 80547378
1-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80549868
tert-butyl 4-[2-methyl-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 75421507
2-methyl-1-(2-methylthiomorpholin-4-yl)-2-piperazin-1-ylpropan-1-one
CID 115739169
2-methyl-1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 80548168
2,2-dimethyl-3-oxo-3-piperazin-1-ylpropanoic acid
CID 82820893
2,2-difluoro-1-piperazin-1-ylpropan-1-one
CID 116840399
(4-methylcyclohexyl)-piperazin-1-ylmethanone
CID 22229215
2-[4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazin-1-yl]acetic acid
CID 80547819
2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanoic acid
CID 82813575
1-(3-ethylpiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80548544

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one (CID 39256559) is 2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one is CC1CCN(C(C)(C)C(=O)N2CCNCC2)CC1.
What is the InChIKey of 2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is QWFWNRUZZHGVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12-4-8-17(9-5-12)14(2,3)13(18)16-10-6-15-7-11-16/h12,15H,4-11H2,1-3H3.
What are the key properties of 2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 253.39 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 39256559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).