2,2-dimethyl-N-(3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl)propanamide

C14H27N3O2 — CID 82020291

IUPAC2,2-dimethyl-N-(3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl)propanamide
SMILESCC(C)C(NC(=O)C(C)(C)C)C(=O)N1CCNCC1
InChIInChI=1S/C14H27N3O2/c1-10(2)11(16-13(19)14(3,4)5)12(18)17-8-6-15-7-9-17/h10-11,15H,6-9H2,1-5H3,(H,16,19)
InChIKeyYFGJZYPFEKCYML-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.61
Rot. Bonds3

About 2,2-dimethyl-N-(3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl)propanamide

2,2-dimethyl-N-(3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl)propanamide (PubChem CID 82020291) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl)propanamide
PubChem CID82020291
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2,2-dimethyl-N-(3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl)propanamide
SMILESCC(C)C(NC(=O)C(C)(C)C)C(=O)N1CCNCC1
InChIInChI=1S/C14H27N3O2/c1-10(2)11(16-13(19)14(3,4)5)12(18)17-8-6-15-7-9-17/h10-11,15H,6-9H2,1-5H3,(H,16,19)
InChIKeyYFGJZYPFEKCYML-UHFFFAOYSA-N
XLogP0.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]propanamide
CID 110348620
tert-butyl N-[(2S)-1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 26384928
(2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one
CID 59979591
4-tert-butyl-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 119418511
4-hydroxy-3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl]benzamide
CID 70822677
2-chloro-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 119415950
4-ethoxy-N-(3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl)benzamide
CID 119403546
2-methyl-N-(1-oxo-1-piperazin-1-ylpropan-2-yl)propanamide
CID 82020267
N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide;hydrochloride
CID 119416007
N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide;hydrochloride
CID 119415508
2-(dimethylamino)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 82508777
3,3,3-trifluoro-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119400450

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl)propanamide (CID 82020291) is 2,2-dimethyl-N-(3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl)propanamide is CC(C)C(NC(=O)C(C)(C)C)C(=O)N1CCNCC1.
What is the InChIKey of 2,2-dimethyl-N-(3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl)propanamide?
The InChIKey is YFGJZYPFEKCYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10(2)11(16-13(19)14(3,4)5)12(18)17-8-6-15-7-9-17/h10-11,15H,6-9H2,1-5H3,(H,16,19).
What are the key properties of 2,2-dimethyl-N-(3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl)propanamide?
2,2-dimethyl-N-(3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl)propanamide has a molecular weight of 269.39 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-methyl-1-oxo-1-piperazin-1-ylbutan-2-yl)propanamide is sourced from PubChem (CID 82020291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).