2-methyl-N-[3-methyl-1-(4-methyl-3-oxopiperazin-1-yl)butan-2-yl]propanamide

C14H27N3O2 — CID 169251204

IUPAC2-methyl-N-[3-methyl-1-(4-methyl-3-oxopiperazin-1-yl)butan-2-yl]propanamide
SMILESCC(C)C(=O)NC(CN1CCN(C)C(=O)C1)C(C)C
InChIInChI=1S/C14H27N3O2/c1-10(2)12(15-14(19)11(3)4)8-17-7-6-16(5)13(18)9-17/h10-12H,6-9H2,1-5H3,(H,15,19)
InChIKeyOYYJEZXFIJLWBB-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.56
Rot. Bonds5

About 2-methyl-N-[3-methyl-1-(4-methyl-3-oxopiperazin-1-yl)butan-2-yl]propanamide

2-methyl-N-[3-methyl-1-(4-methyl-3-oxopiperazin-1-yl)butan-2-yl]propanamide (PubChem CID 169251204) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-1-(4-methyl-3-oxopiperazin-1-yl)butan-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-1-(4-methyl-3-oxopiperazin-1-yl)butan-2-yl]propanamide
PubChem CID169251204
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-methyl-N-[3-methyl-1-(4-methyl-3-oxopiperazin-1-yl)butan-2-yl]propanamide
SMILESCC(C)C(=O)NC(CN1CCN(C)C(=O)C1)C(C)C
InChIInChI=1S/C14H27N3O2/c1-10(2)12(15-14(19)11(3)4)8-17-7-6-16(5)13(18)9-17/h10-12H,6-9H2,1-5H3,(H,15,19)
InChIKeyOYYJEZXFIJLWBB-UHFFFAOYSA-N
XLogP0.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-methyl-1-(4-methylpiperazin-1-yl)butan-2-yl]propanamide
CID 163271288
N-[(2S)-1-(azetidin-1-yl)-3-methylbutan-2-yl]-2-methylpropanamide
CID 167034979
2-methyl-N-[(2R)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 167386314
2-methyl-N-[(2S)-3-methyl-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 167386473
2-methyl-N-[(2R)-3-methyl-1-(2-oxopyrrolidin-1-yl)butan-2-yl]propanamide
CID 176871269
4-[(2S)-2-hydroxybutyl]-1-methylpiperazin-2-one
CID 130841155
3,3,3-trifluoro-2-[(4-methyl-3-oxopiperazin-1-yl)methyl]propanoic acid
CID 80996020
2-(4-methyl-3-oxopiperazin-1-yl)acetic acid
CID 55263568
benzyl 2-methyl-3-(4-methyl-3-oxopiperazin-1-yl)propanoate
CID 106484360
N-ethyl-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
CID 166062321
ethyl 2-methyl-3-(4-methyl-3-oxo-1,4-diazepan-1-yl)propanoate
CID 102889466
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2-methylpropanamide
CID 39086818

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-1-(4-methyl-3-oxopiperazin-1-yl)butan-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[3-methyl-1-(4-methyl-3-oxopiperazin-1-yl)butan-2-yl]propanamide (CID 169251204) is 2-methyl-N-[3-methyl-1-(4-methyl-3-oxopiperazin-1-yl)butan-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-1-(4-methyl-3-oxopiperazin-1-yl)butan-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[3-methyl-1-(4-methyl-3-oxopiperazin-1-yl)butan-2-yl]propanamide is CC(C)C(=O)NC(CN1CCN(C)C(=O)C1)C(C)C.
What is the InChIKey of 2-methyl-N-[3-methyl-1-(4-methyl-3-oxopiperazin-1-yl)butan-2-yl]propanamide?
The InChIKey is OYYJEZXFIJLWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10(2)12(15-14(19)11(3)4)8-17-7-6-16(5)13(18)9-17/h10-12H,6-9H2,1-5H3,(H,15,19).
What are the key properties of 2-methyl-N-[3-methyl-1-(4-methyl-3-oxopiperazin-1-yl)butan-2-yl]propanamide?
2-methyl-N-[3-methyl-1-(4-methyl-3-oxopiperazin-1-yl)butan-2-yl]propanamide has a molecular weight of 269.39 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-1-(4-methyl-3-oxopiperazin-1-yl)butan-2-yl]propanamide is sourced from PubChem (CID 169251204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).