N-(3-methylbutan-2-yl)-2-[(4-methylpiperazin-1-yl)amino]acetamide

C12H26N4O — CID 83021138

IUPACN-(3-methylbutan-2-yl)-2-[(4-methylpiperazin-1-yl)amino]acetamide
SMILESCC(C)C(C)NC(=O)CNN1CCN(C)CC1
InChIInChI=1S/C12H26N4O/c1-10(2)11(3)14-12(17)9-13-16-7-5-15(4)6-8-16/h10-11,13H,5-9H2,1-4H3,(H,14,17)
InChIKeyOOXBGHXUHBGMEG-UHFFFAOYSA-N
MW242.37 g/mol
LogP-0.10
Rot. Bonds5

About N-(3-methylbutan-2-yl)-2-[(4-methylpiperazin-1-yl)amino]acetamide

N-(3-methylbutan-2-yl)-2-[(4-methylpiperazin-1-yl)amino]acetamide (PubChem CID 83021138) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-[(4-methylpiperazin-1-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-[(4-methylpiperazin-1-yl)amino]acetamide
PubChem CID83021138
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC NameN-(3-methylbutan-2-yl)-2-[(4-methylpiperazin-1-yl)amino]acetamide
SMILESCC(C)C(C)NC(=O)CNN1CCN(C)CC1
InChIInChI=1S/C12H26N4O/c1-10(2)11(3)14-12(17)9-13-16-7-5-15(4)6-8-16/h10-11,13H,5-9H2,1-4H3,(H,14,17)
InChIKeyOOXBGHXUHBGMEG-UHFFFAOYSA-N
XLogP-0.10
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[(4-methylpiperazin-1-yl)amino]acetamide
CID 83022308
N-(3-methylbutan-2-yl)-2-(morpholin-4-ylamino)acetamide
CID 83021379
N-methyl-2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetamide
CID 60695644
2-[[(4-methylpiperazin-1-yl)amino]methyl]prop-2-enoic acid
CID 103261245
N-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylethylamino)acetamide
CID 60687185
N-(3-methylbutan-2-yl)-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 78945317
4-methyl-N-(2-methylprop-2-enyl)piperazin-1-amine
CID 83021456
methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetate
CID 60687550
3-methyl-4-[(4-methylpiperazin-1-yl)amino]but-2-enoic acid
CID 103261231
2-(cyclobutylmethylamino)-N-(3-methylbutan-2-yl)acetamide
CID 61489134
N-(3-methylbutan-2-yl)-2-[(1-propan-2-ylcyclopropyl)methylamino]acetamide
CID 114113618
3-methyl-5-[(4-methylpiperazin-1-yl)amino]-5-oxopentanoic acid
CID 83005393

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-[(4-methylpiperazin-1-yl)amino]acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-[(4-methylpiperazin-1-yl)amino]acetamide (CID 83021138) is N-(3-methylbutan-2-yl)-2-[(4-methylpiperazin-1-yl)amino]acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-[(4-methylpiperazin-1-yl)amino]acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-[(4-methylpiperazin-1-yl)amino]acetamide is CC(C)C(C)NC(=O)CNN1CCN(C)CC1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-[(4-methylpiperazin-1-yl)amino]acetamide?
The InChIKey is OOXBGHXUHBGMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-10(2)11(3)14-12(17)9-13-16-7-5-15(4)6-8-16/h10-11,13H,5-9H2,1-4H3,(H,14,17).
What are the key properties of N-(3-methylbutan-2-yl)-2-[(4-methylpiperazin-1-yl)amino]acetamide?
N-(3-methylbutan-2-yl)-2-[(4-methylpiperazin-1-yl)amino]acetamide has a molecular weight of 242.37 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-[(4-methylpiperazin-1-yl)amino]acetamide is sourced from PubChem (CID 83021138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).