1-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione

C15H27N3O2 — CID 64967471

IUPAC1-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(CC2CCCN(C)C2)C1=O
InChIInChI=1S/C15H27N3O2/c1-11(2)7-13-15(20)18(10-14(19)16-13)9-12-5-4-6-17(3)8-12/h11-13H,4-10H2,1-3H3,(H,16,19)
InChIKeyVEASNHFHBRVRKY-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.70
Rot. Bonds4

About 1-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione

1-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64967471) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64967471
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(CC2CCCN(C)C2)C1=O
InChIInChI=1S/C15H27N3O2/c1-11(2)7-13-15(20)18(10-14(19)16-13)9-12-5-4-6-17(3)8-12/h11-13H,4-10H2,1-3H3,(H,16,19)
InChIKeyVEASNHFHBRVRKY-UHFFFAOYSA-N
XLogP0.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 107415635
1-[(2-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 107420963
3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64879773
1-(3-methyl-2-propan-2-ylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 102908614
1-hexyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64879394
3-(2-methylpropyl)-1-octylpiperazine-2,5-dione
CID 64879391
1-(2-cyclohexyloxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64971621
3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione
CID 64966881
3-methyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepan-2-one
CID 115102053
1-(3-methoxy-2-methylpropyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64968689
3-(2-methylpropyl)-1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 64882199
3-cyclopropyl-1-[(1-methylpiperidin-3-yl)methyl]-1,4-diazepane-2,5-dione
CID 64967452

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione (CID 64967471) is 1-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1NC(=O)CN(CC2CCCN(C)C2)C1=O.
What is the InChIKey of 1-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is VEASNHFHBRVRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(2)7-13-15(20)18(10-14(19)16-13)9-12-5-4-6-17(3)8-12/h11-13H,4-10H2,1-3H3,(H,16,19).
What are the key properties of 1-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione?
1-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 281.40 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64967471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).