6-[(3,4-dimethylpiperazine-1-carbonyl)amino]-4,4-dimethylhexanoic acid

C15H29N3O3 — CID 65289367

IUPAC6-[(3,4-dimethylpiperazine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCC1CN(C(=O)NCCC(C)(C)CCC(=O)O)CCN1C
InChIInChI=1S/C15H29N3O3/c1-12-11-18(10-9-17(12)4)14(21)16-8-7-15(2,3)6-5-13(19)20/h12H,5-11H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyVCFRHOMCGNKAPY-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.61
Rot. Bonds6

About 6-[(3,4-dimethylpiperazine-1-carbonyl)amino]-4,4-dimethylhexanoic acid

6-[(3,4-dimethylpiperazine-1-carbonyl)amino]-4,4-dimethylhexanoic acid (PubChem CID 65289367) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 6-[(3,4-dimethylpiperazine-1-carbonyl)amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(3,4-dimethylpiperazine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
PubChem CID65289367
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name6-[(3,4-dimethylpiperazine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCC1CN(C(=O)NCCC(C)(C)CCC(=O)O)CCN1C
InChIInChI=1S/C15H29N3O3/c1-12-11-18(10-9-17(12)4)14(21)16-8-7-15(2,3)6-5-13(19)20/h12H,5-11H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyVCFRHOMCGNKAPY-UHFFFAOYSA-N
XLogP1.61
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 79180887
6-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 102962215
6-[(4-aminopiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65289949
6-[(4-ethylpiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65290004
N-(2-methoxyethyl)-3,4-dimethylpiperazine-1-carboxamide
CID 167088370
2-[(3,4-dimethylpiperazine-1-carbonyl)amino]pentanedioic acid
CID 63605099
4,4-dimethyl-6-[(1-methylpyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 65287791
3-[(3,4-dimethylpiperazine-1-carbonyl)amino]butanoic acid
CID 63605097
1-[[(3,4-dimethylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434335
4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 65284445
2-(tert-butylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 79256799
3-[(4-tert-butyl-3-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 122017885

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethylpiperazine-1-carbonyl)amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(3,4-dimethylpiperazine-1-carbonyl)amino]-4,4-dimethylhexanoic acid (CID 65289367) is 6-[(3,4-dimethylpiperazine-1-carbonyl)amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(3,4-dimethylpiperazine-1-carbonyl)amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(3,4-dimethylpiperazine-1-carbonyl)amino]-4,4-dimethylhexanoic acid is CC1CN(C(=O)NCCC(C)(C)CCC(=O)O)CCN1C.
What is the InChIKey of 6-[(3,4-dimethylpiperazine-1-carbonyl)amino]-4,4-dimethylhexanoic acid?
The InChIKey is VCFRHOMCGNKAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-12-11-18(10-9-17(12)4)14(21)16-8-7-15(2,3)6-5-13(19)20/h12H,5-11H2,1-4H3,(H,16,21)(H,19,20).
What are the key properties of 6-[(3,4-dimethylpiperazine-1-carbonyl)amino]-4,4-dimethylhexanoic acid?
6-[(3,4-dimethylpiperazine-1-carbonyl)amino]-4,4-dimethylhexanoic acid has a molecular weight of 299.42 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dimethylpiperazine-1-carbonyl)amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65289367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).