3,3-dimethyl-5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-oxopentanoic acid

C15H24N4O4 — CID 91946677

IUPAC3,3-dimethyl-5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-oxopentanoic acid
SMILESCc1nonc1CN1CCN(C(=O)CC(C)(C)CC(=O)O)CC1
InChIInChI=1S/C15H24N4O4/c1-11-12(17-23-16-11)10-18-4-6-19(7-5-18)13(20)8-15(2,3)9-14(21)22/h4-10H2,1-3H3,(H,21,22)
InChIKeyDTGWOMMNOQJJIM-UHFFFAOYSA-N
MW324.38 g/mol
LogP0.91
Rot. Bonds6

About 3,3-dimethyl-5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-oxopentanoic acid

3,3-dimethyl-5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-oxopentanoic acid (PubChem CID 91946677) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3,3-dimethyl-5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-oxopentanoic acid
PubChem CID91946677
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name3,3-dimethyl-5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-oxopentanoic acid
SMILESCc1nonc1CN1CCN(C(=O)CC(C)(C)CC(=O)O)CC1
InChIInChI=1S/C15H24N4O4/c1-11-12(17-23-16-11)10-18-4-6-19(7-5-18)13(20)8-15(2,3)9-14(21)22/h4-10H2,1-3H3,(H,21,22)
InChIKeyDTGWOMMNOQJJIM-UHFFFAOYSA-N
XLogP0.91
TPSA99.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-acetylpiperazin-1-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 60699624
3-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,2,5-oxadiazole
CID 130158026
5-[4-(dimethylcarbamoyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 62935437
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 91946588
5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 62935451
[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 118761146
5-[4-(2-methoxyacetyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 62933729
[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 91833350
3-methyl-4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,5-oxadiazole
CID 91946603
5-chloro-3,3-dimethyl-1-[2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]indol-2-one
CID 91946586
1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propan-1-one
CID 28922251
(2S)-1-methyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazine-2-carboxylic acid
CID 125014139

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 3,3-dimethyl-5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-oxopentanoic acid (CID 91946677) is 3,3-dimethyl-5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-oxopentanoic acid is Cc1nonc1CN1CCN(C(=O)CC(C)(C)CC(=O)O)CC1.
What is the InChIKey of 3,3-dimethyl-5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-oxopentanoic acid?
The InChIKey is DTGWOMMNOQJJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4/c1-11-12(17-23-16-11)10-18-4-6-19(7-5-18)13(20)8-15(2,3)9-14(21)22/h4-10H2,1-3H3,(H,21,22).
What are the key properties of 3,3-dimethyl-5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-oxopentanoic acid?
3,3-dimethyl-5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-oxopentanoic acid has a molecular weight of 324.38 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 91946677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).