[(2S)-3-methyl-1-[(3R)-3-methyl-4-pentanoylpiperazin-1-yl]-1-oxobutan-2-yl]azanium

C15H30N3O2+ — CID 7271374

IUPAC[(2S)-3-methyl-1-[(3R)-3-methyl-4-pentanoylpiperazin-1-yl]-1-oxobutan-2-yl]azanium
SMILESCCCCC(=O)N1CCN(C(=O)[C@@H]([NH3+])C(C)C)C[C@H]1C
InChIInChI=1S/C15H29N3O2/c1-5-6-7-13(19)18-9-8-17(10-12(18)4)15(20)14(16)11(2)3/h11-12,14H,5-10,16H2,1-4H3/p+1/t12-,14+/m1/s1
InChIKeyWFLPGHCTNGDVAX-OCCSQVGLSA-O
MW284.42 g/mol
LogP0.50
Rot. Bonds5

About [(2S)-3-methyl-1-[(3R)-3-methyl-4-pentanoylpiperazin-1-yl]-1-oxobutan-2-yl]azanium

[(2S)-3-methyl-1-[(3R)-3-methyl-4-pentanoylpiperazin-1-yl]-1-oxobutan-2-yl]azanium (PubChem CID 7271374) has the molecular formula C15H30N3O2+ and a molecular weight of 284.42 g/mol. Its IUPAC name is [(2S)-3-methyl-1-[(3R)-3-methyl-4-pentanoylpiperazin-1-yl]-1-oxobutan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-3-methyl-1-[(3R)-3-methyl-4-pentanoylpiperazin-1-yl]-1-oxobutan-2-yl]azanium
PubChem CID7271374
Molecular FormulaC15H30N3O2+
Molecular Weight284.42 g/mol
Exact Mass284.23
IUPAC Name[(2S)-3-methyl-1-[(3R)-3-methyl-4-pentanoylpiperazin-1-yl]-1-oxobutan-2-yl]azanium
SMILESCCCCC(=O)N1CCN(C(=O)[C@@H]([NH3+])C(C)C)C[C@H]1C
InChIInChI=1S/C15H29N3O2/c1-5-6-7-13(19)18-9-8-17(10-12(18)4)15(20)14(16)11(2)3/h11-12,14H,5-10,16H2,1-4H3/p+1/t12-,14+/m1/s1
InChIKeyWFLPGHCTNGDVAX-OCCSQVGLSA-O
XLogP0.50
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S)-3-methyl-1-[(3R)-3-methyl-4-pentanoylpiperazin-1-yl]-1-oxobutan-2-yl]azanium with MolForge

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Related Compounds

N-[3-methyl-1-(3-methyl-4-pentanoylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide
CID 42706669
[(2R)-1-[(3R)-4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]azanium
CID 6941297
3-chloro-2,2-dimethyl-N-[3-methyl-1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxobutan-2-yl]propanamide
CID 42706562
2-chloro-N-[3-methyl-1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]acetamide
CID 4316747
4-fluoro-N-[1-(3-methyl-4-pentanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42707402
1-benzyl-3-[3-methyl-1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxobutan-2-yl]urea
CID 4240009
N-[1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 42707480
N-ethyl-2-methyl-4-[3-methyl-2-(octanoylamino)butanoyl]piperazine-1-carboxamide
CID 42708174
1-[(2S)-2-methyl-4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]pentan-1-one
CID 175951550
butyl (3R)-3-methyl-4-(2-methylbutanoyl)piperazine-1-carboxylate
CID 175748721
N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]hexanamide
CID 42706572
ethyl 4-[[1-[4-(2-ethylhexanoyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoate
CID 42707635

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-methyl-1-[(3R)-3-methyl-4-pentanoylpiperazin-1-yl]-1-oxobutan-2-yl]azanium?
The IUPAC name of [(2S)-3-methyl-1-[(3R)-3-methyl-4-pentanoylpiperazin-1-yl]-1-oxobutan-2-yl]azanium (CID 7271374) is [(2S)-3-methyl-1-[(3R)-3-methyl-4-pentanoylpiperazin-1-yl]-1-oxobutan-2-yl]azanium.
What is the SMILES notation for [(2S)-3-methyl-1-[(3R)-3-methyl-4-pentanoylpiperazin-1-yl]-1-oxobutan-2-yl]azanium?
The canonical SMILES for [(2S)-3-methyl-1-[(3R)-3-methyl-4-pentanoylpiperazin-1-yl]-1-oxobutan-2-yl]azanium is CCCCC(=O)N1CCN(C(=O)[C@@H]([NH3+])C(C)C)C[C@H]1C.
What is the InChIKey of [(2S)-3-methyl-1-[(3R)-3-methyl-4-pentanoylpiperazin-1-yl]-1-oxobutan-2-yl]azanium?
The InChIKey is WFLPGHCTNGDVAX-OCCSQVGLSA-O. The full InChI is InChI=1S/C15H29N3O2/c1-5-6-7-13(19)18-9-8-17(10-12(18)4)15(20)14(16)11(2)3/h11-12,14H,5-10,16H2,1-4H3/p+1/t12-,14+/m1/s1.
What are the key properties of [(2S)-3-methyl-1-[(3R)-3-methyl-4-pentanoylpiperazin-1-yl]-1-oxobutan-2-yl]azanium?
[(2S)-3-methyl-1-[(3R)-3-methyl-4-pentanoylpiperazin-1-yl]-1-oxobutan-2-yl]azanium has a molecular weight of 284.42 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-methyl-1-[(3R)-3-methyl-4-pentanoylpiperazin-1-yl]-1-oxobutan-2-yl]azanium is sourced from PubChem (CID 7271374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).