4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one

C18H33N3O2 — CID 177119210

IUPAC4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one
SMILESCC(C)C(=O)CN1CCN(CC2CCN(C(C)C)C(=O)C2)CC1
InChIInChI=1S/C18H33N3O2/c1-14(2)17(22)13-20-9-7-19(8-10-20)12-16-5-6-21(15(3)4)18(23)11-16/h14-16H,5-13H2,1-4H3
InChIKeyQEXQMBHWMNDDPC-UHFFFAOYSA-N
MW323.48 g/mol
LogP1.48
Rot. Bonds6

About 4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one

4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one (PubChem CID 177119210) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one
PubChem CID177119210
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one
SMILESCC(C)C(=O)CN1CCN(CC2CCN(C(C)C)C(=O)C2)CC1
InChIInChI=1S/C18H33N3O2/c1-14(2)17(22)13-20-9-7-19(8-10-20)12-16-5-6-21(15(3)4)18(23)11-16/h14-16H,5-13H2,1-4H3
InChIKeyQEXQMBHWMNDDPC-UHFFFAOYSA-N
XLogP1.48
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one with MolForge

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Related Compounds

3-methyl-1-[4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]piperidin-1-yl]pentan-2-one
CID 176575579
3-methyl-1-[4-[[1-(oxomethyl)piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one;yttrium
CID 176578268
3-methyl-1-[4-[[1-[3-(propan-2-ylamino)propyl]piperidin-4-yl]methyl]piperazin-1-yl]butan-2-one
CID 177119154
1-[4-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-methylbutan-2-one
CID 176576642
3-methyl-1-(4-methylpiperidin-1-yl)butan-2-one
CID 23588199
1-(3-aminopyrrolidin-1-yl)-3-methylbutan-2-one
CID 79395094
3-methyl-1-[4-[[4-(6-propan-2-yloxypyridazin-4-yl)piperazin-1-yl]methyl]piperidin-1-yl]butan-2-one
CID 176580799
3-methyl-1-[4-(2-piperidin-4-ylethyl)piperidin-1-yl]butan-2-one
CID 172604820
(4R)-4-methyl-1-propan-2-ylpiperidin-2-one
CID 146189897
3-methyl-1-piperidin-1-ylbutan-2-one
CID 160735866
3-methyl-1-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]butan-2-one
CID 177118848
1,4-di(propan-2-yl)piperidin-2-one
CID 59815013

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one?
The IUPAC name of 4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one (CID 177119210) is 4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for 4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one is CC(C)C(=O)CN1CCN(CC2CCN(C(C)C)C(=O)C2)CC1.
What is the InChIKey of 4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one?
The InChIKey is QEXQMBHWMNDDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-14(2)17(22)13-20-9-7-19(8-10-20)12-16-5-6-21(15(3)4)18(23)11-16/h14-16H,5-13H2,1-4H3.
What are the key properties of 4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one?
4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one has a molecular weight of 323.48 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-methyl-2-oxobutyl)piperazin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 177119210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).