N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide

C15H30N4O2 — CID 63265483

IUPACN-(2-methyl-4-oxopentan-3-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide
SMILESCC(=O)C(NC(=O)CN(C)CCN1CCNCC1)C(C)C
InChIInChI=1S/C15H30N4O2/c1-12(2)15(13(3)20)17-14(21)11-18(4)9-10-19-7-5-16-6-8-19/h12,15-16H,5-11H2,1-4H3,(H,17,21)
InChIKeyWZIRSJOXELSDOK-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.45
Rot. Bonds8

About N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide

N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide (PubChem CID 63265483) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopentan-3-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide
PubChem CID63265483
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC NameN-(2-methyl-4-oxopentan-3-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide
SMILESCC(=O)C(NC(=O)CN(C)CCN1CCNCC1)C(C)C
InChIInChI=1S/C15H30N4O2/c1-12(2)15(13(3)20)17-14(21)11-18(4)9-10-19-7-5-16-6-8-19/h12,15-16H,5-11H2,1-4H3,(H,17,21)
InChIKeyWZIRSJOXELSDOK-UHFFFAOYSA-N
XLogP-0.45
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]carbamate
CID 55167527
4-[[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]amino]butanoic acid
CID 63265218
2-methyl-3-[methyl(2-piperazin-1-ylethyl)amino]propanamide
CID 63265226
N-(1-cyanocyclopentyl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide
CID 63265641
N-(2-methyl-4-oxopentan-3-yl)-2-(4-propylpiperazin-1-yl)acetamide
CID 43234442
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 55010254
2-chloro-N-methyl-N-(2-piperazin-1-ylethyl)prop-2-en-1-amine
CID 63266542
N,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 63265503
methyl 2-[[2-(1,4-diazepan-1-yl)acetyl]amino]-3-methylbutanoate
CID 62839439
N-methyl-N-(2-piperazin-1-ylethyl)pyrrolidine-1-carboxamide
CID 79161541
2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetohydrazide
CID 63573409
1-(2,6-dimethylmorpholin-4-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]ethanone
CID 63265431

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide?
The IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide (CID 63265483) is N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide.
What is the SMILES notation for N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide?
The canonical SMILES for N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide is CC(=O)C(NC(=O)CN(C)CCN1CCNCC1)C(C)C.
What is the InChIKey of N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide?
The InChIKey is WZIRSJOXELSDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-12(2)15(13(3)20)17-14(21)11-18(4)9-10-19-7-5-16-6-8-19/h12,15-16H,5-11H2,1-4H3,(H,17,21).
What are the key properties of N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide?
N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide has a molecular weight of 298.43 g/mol, XLogP of -0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide is sourced from PubChem (CID 63265483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).