3-methylbutyl 2-[1-(2,2-dimethylpropanoyl)-3-oxopiperazin-2-yl]acetate

C16H28N2O4 — CID 17079755

IUPAC3-methylbutyl 2-[1-(2,2-dimethylpropanoyl)-3-oxopiperazin-2-yl]acetate
SMILESCC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C(C)(C)C
InChIInChI=1S/C16H28N2O4/c1-11(2)6-9-22-13(19)10-12-14(20)17-7-8-18(12)15(21)16(3,4)5/h11-12H,6-10H2,1-5H3,(H,17,20)
InChIKeyFULAHGJORCEOQF-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.34
Rot. Bonds5

About 3-methylbutyl 2-[1-(2,2-dimethylpropanoyl)-3-oxopiperazin-2-yl]acetate

3-methylbutyl 2-[1-(2,2-dimethylpropanoyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 17079755) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-methylbutyl 2-[1-(2,2-dimethylpropanoyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Name3-methylbutyl 2-[1-(2,2-dimethylpropanoyl)-3-oxopiperazin-2-yl]acetate
PubChem CID17079755
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name3-methylbutyl 2-[1-(2,2-dimethylpropanoyl)-3-oxopiperazin-2-yl]acetate
SMILESCC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C(C)(C)C
InChIInChI=1S/C16H28N2O4/c1-11(2)6-9-22-13(19)10-12-14(20)17-7-8-18(12)15(21)16(3,4)5/h11-12H,6-10H2,1-5H3,(H,17,20)
InChIKeyFULAHGJORCEOQF-UHFFFAOYSA-N
XLogP1.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylbutyl 2-[1-(2-cyclopentylacetyl)-3-oxopiperazin-2-yl]acetate
CID 54786079
3-methylbutyl 2-[1-[2-(4-bromophenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17079734
3-methylbutyl 2-[1-[[2-(4-chlorophenyl)acetyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 17080007
3-methylbutyl 2-[1-(4-butan-2-yloxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17141329
3-methylbutyl 2-[1-(3-bromo-4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17079728
3-methylbutyl 2-[1-[(4-bromobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 54791640
2-methylpropyl 2-[1-[2-(tert-butylamino)acetyl]-3-oxopiperazin-2-yl]acetate
CID 54813767
3-methylbutyl 2-[1-(2-naphthalen-2-yloxyacetyl)-3-oxopiperazin-2-yl]acetate
CID 17079709
3-methylbutyl 2-[1-(2-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17079785
tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate
CID 3161315
3-methylbutyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate
CID 17079792
3-methylbutyl 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 17079717

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl 2-[1-(2,2-dimethylpropanoyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of 3-methylbutyl 2-[1-(2,2-dimethylpropanoyl)-3-oxopiperazin-2-yl]acetate (CID 17079755) is 3-methylbutyl 2-[1-(2,2-dimethylpropanoyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for 3-methylbutyl 2-[1-(2,2-dimethylpropanoyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for 3-methylbutyl 2-[1-(2,2-dimethylpropanoyl)-3-oxopiperazin-2-yl]acetate is CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C(C)(C)C.
What is the InChIKey of 3-methylbutyl 2-[1-(2,2-dimethylpropanoyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is FULAHGJORCEOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-11(2)6-9-22-13(19)10-12-14(20)17-7-8-18(12)15(21)16(3,4)5/h11-12H,6-10H2,1-5H3,(H,17,20).
What are the key properties of 3-methylbutyl 2-[1-(2,2-dimethylpropanoyl)-3-oxopiperazin-2-yl]acetate?
3-methylbutyl 2-[1-(2,2-dimethylpropanoyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 312.41 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl 2-[1-(2,2-dimethylpropanoyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 17079755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).