6-oxo-6-[(4-propan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid

C14H25N3O4 — CID 43585543

IUPAC6-oxo-6-[(4-propan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid
SMILESCC(C)N1CCN(C(=O)NC(=O)CCCCC(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-11(2)16-7-9-17(10-8-16)14(21)15-12(18)5-3-4-6-13(19)20/h11H,3-10H2,1-2H3,(H,19,20)(H,15,18,21)
InChIKeyZHVWPPAKGLBJBT-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.89
Rot. Bonds6

About 6-oxo-6-[(4-propan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid

6-oxo-6-[(4-propan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid (PubChem CID 43585543) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 6-oxo-6-[(4-propan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-oxo-6-[(4-propan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid
PubChem CID43585543
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name6-oxo-6-[(4-propan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid
SMILESCC(C)N1CCN(C(=O)NC(=O)CCCCC(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-11(2)16-7-9-17(10-8-16)14(21)15-12(18)5-3-4-6-13(19)20/h11H,3-10H2,1-2H3,(H,19,20)(H,15,18,21)
InChIKeyZHVWPPAKGLBJBT-UHFFFAOYSA-N
XLogP0.89
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-oxo-6-(piperidine-1-carbonylamino)hexanoic acid
CID 43447360
6-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]-6-oxohexanoic acid
CID 43581886
4-[(4-acetylpiperazine-1-carbonyl)amino]-4-oxobutanoic acid
CID 28746387
5-(morpholine-4-carbonylamino)-5-oxopentanoic acid
CID 28931672
6-[(2,6-dimethylmorpholine-4-carbonyl)amino]-6-oxohexanoic acid
CID 43447293
6-[(4-butan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid
CID 62775914
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 63978254
5-[(3-ethyl-4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 63621909
3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 61200687
6-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-6-oxohexanoic acid
CID 63218508
methyl 4-propan-2-ylpiperazine-1-carboxylate
CID 59264587
6-[(2-ethylazepane-1-carbonyl)amino]-6-oxohexanoic acid
CID 104690464

Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-[(4-propan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-oxo-6-[(4-propan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid (CID 43585543) is 6-oxo-6-[(4-propan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-oxo-6-[(4-propan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-oxo-6-[(4-propan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid is CC(C)N1CCN(C(=O)NC(=O)CCCCC(=O)O)CC1.
What is the InChIKey of 6-oxo-6-[(4-propan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid?
The InChIKey is ZHVWPPAKGLBJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-11(2)16-7-9-17(10-8-16)14(21)15-12(18)5-3-4-6-13(19)20/h11H,3-10H2,1-2H3,(H,19,20)(H,15,18,21).
What are the key properties of 6-oxo-6-[(4-propan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid?
6-oxo-6-[(4-propan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-[(4-propan-2-ylpiperazine-1-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43585543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).