N-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide

C12H23N3O2 — CID 155056024

IUPACN-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide
SMILESCCC(=O)NC(CC)C(=O)N1CCN(C)CC1
InChIInChI=1S/C12H23N3O2/c1-4-10(13-11(16)5-2)12(17)15-8-6-14(3)7-9-15/h10H,4-9H2,1-3H3,(H,13,16)
InChIKeyBPSDTSAQWZTZMD-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.07
Rot. Bonds4

About N-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide

N-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide (PubChem CID 155056024) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide.

Molecular Properties

Compound NameN-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide
PubChem CID155056024
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide
SMILESCCC(=O)NC(CC)C(=O)N1CCN(C)CC1
InChIInChI=1S/C12H23N3O2/c1-4-10(13-11(16)5-2)12(17)15-8-6-14(3)7-9-15/h10H,4-9H2,1-3H3,(H,13,16)
InChIKeyBPSDTSAQWZTZMD-UHFFFAOYSA-N
XLogP0.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-oxo-1-pyrrolidin-1-ylbutan-2-yl)acetamide
CID 143447843
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286989
N-[(2R)-1-(4-methylpiperazin-1-yl)-1-oxo-3-sulfanylpropan-2-yl]acetamide
CID 24952547
2-methyl-N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]propanamide
CID 110285648
[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea
CID 60634818
tert-butyl N-[4-[(2R)-3-(4-methylpiperazin-1-yl)-3-oxo-2-(propanoylamino)propyl]phenyl]carbamate
CID 154618085
S-[(2R)-2-acetamido-3-(4-methylpiperazin-1-yl)-3-oxopropyl] ethanethioate
CID 24952890
N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 110285714
4,4,4-trifluoro-N-[(2R)-1-morpholin-4-yl-1-oxobutan-2-yl]butanamide
CID 97007236
1-methyl-3-(1-oxo-1-piperazin-1-ylbutan-2-yl)urea
CID 82510029
N-[3-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide
CID 155024601
1-(aziridin-1-yl)-2-methylbutan-1-one
CID 131176339

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide?
The IUPAC name of N-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide (CID 155056024) is N-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide.
What is the SMILES notation for N-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide?
The canonical SMILES for N-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide is CCC(=O)NC(CC)C(=O)N1CCN(C)CC1.
What is the InChIKey of N-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide?
The InChIKey is BPSDTSAQWZTZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-10(13-11(16)5-2)12(17)15-8-6-14(3)7-9-15/h10H,4-9H2,1-3H3,(H,13,16).
What are the key properties of N-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide?
N-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide has a molecular weight of 241.33 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide is sourced from PubChem (CID 155056024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).