2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one

C16H31N3O — CID 103812458

IUPAC2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(C(=O)C(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)14-5-9-18(10-6-14)15(20)16(3,4)19-11-7-17-8-12-19/h13-14,17H,5-12H2,1-4H3
InChIKeySAYOWPYRVUAFIR-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.56
Rot. Bonds3

About 2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one

2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one (PubChem CID 103812458) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
PubChem CID103812458
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C)C1CCN(C(=O)C(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)14-5-9-18(10-6-14)15(20)16(3,4)19-11-7-17-8-12-19/h13-14,17H,5-12H2,1-4H3
InChIKeySAYOWPYRVUAFIR-UHFFFAOYSA-N
XLogP1.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperazin-1-yl-2-(4-propan-2-ylpiperidin-1-yl)ethane-1,2-dione
CID 103500750
methyl 1-(2-methyl-2-piperazin-1-ylpropanoyl)piperidine-4-carboxylate
CID 80547378
1-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80547764
2-methyl-2-(4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 39256559
3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103876554
1-(3-ethylpiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80548544
piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
2-methyl-1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 80548168
2-[4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazin-1-yl]acetic acid
CID 80547819
1-(3-ethoxypiperidin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80550106
2-amino-3,3,3-trifluoro-2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103495390
1-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 80549868

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one (CID 103812458) is 2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one is CC(C)C1CCN(C(=O)C(C)(C)N2CCNCC2)CC1.
What is the InChIKey of 2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The InChIKey is SAYOWPYRVUAFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2)14-5-9-18(10-6-14)15(20)16(3,4)19-11-7-17-8-12-19/h13-14,17H,5-12H2,1-4H3.
What are the key properties of 2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one has a molecular weight of 281.44 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperazin-1-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 103812458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).