4-(7-aminoheptanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride

C13H26ClN3O2 — CID 119775007

IUPAC4-(7-aminoheptanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride
SMILESCC1(C)C(=O)NCCN1C(=O)CCCCCCN.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-13(2)12(18)15-9-10-16(13)11(17)7-5-3-4-6-8-14;/h3-10,14H2,1-2H3,(H,15,18);1H
InChIKeyYMPAUMJZIFZVDB-UHFFFAOYSA-N
MW291.82 g/mol
LogP1.05
Rot. Bonds6

About 4-(7-aminoheptanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride

4-(7-aminoheptanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride (PubChem CID 119775007) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is 4-(7-aminoheptanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(7-aminoheptanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride
PubChem CID119775007
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC Name4-(7-aminoheptanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride
SMILESCC1(C)C(=O)NCCN1C(=O)CCCCCCN.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-13(2)12(18)15-9-10-16(13)11(17)7-5-3-4-6-8-14;/h3-10,14H2,1-2H3,(H,15,18);1H
InChIKeyYMPAUMJZIFZVDB-UHFFFAOYSA-N
XLogP1.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Dodecanoylpiperazine-2,6-dione
CID 2775706
N-[(3S)-2,6-dioxopiperidin-3-yl]heptanamide
CID 10966632
Piperidine-2-carboxylic acid tert-butylamide
CID 5289197
Tocris-1628
CID 6604894
N-tert-butylpiperidine-2-carboxamide
CID 3318550
(2S)-aminobutyryl-(R)-pipecolinic acid amide
CID 11672950
Npc 15437
CID 4548
(2R)-2,6-diamino-N-[(1-tridecanoylpiperidin-2-yl)methyl]hexanamide
CID 15072988
(2S)-2,6-Diamino-N-((1-tridecanoylpiperidin-2-yl)methyl)hexanamide
CID 15072989
2-amino-N-[(1-tridecanoylpiperidin-2-yl)methyl]acetamide
CID 19778224
(3S,6S)-3-(4-aminobutyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 57393165
(3S,6S)-3-Butyl-6-methylpiperazine-2,5-dione
CID 89835123

Frequently Asked Questions

What is the IUPAC name of 4-(7-aminoheptanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride?
The IUPAC name of 4-(7-aminoheptanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride (CID 119775007) is 4-(7-aminoheptanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride.
What is the SMILES notation for 4-(7-aminoheptanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride?
The canonical SMILES for 4-(7-aminoheptanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride is CC1(C)C(=O)NCCN1C(=O)CCCCCCN.Cl.
What is the InChIKey of 4-(7-aminoheptanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride?
The InChIKey is YMPAUMJZIFZVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-13(2)12(18)15-9-10-16(13)11(17)7-5-3-4-6-8-14;/h3-10,14H2,1-2H3,(H,15,18);1H.
What are the key properties of 4-(7-aminoheptanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride?
4-(7-aminoheptanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-aminoheptanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride is sourced from PubChem (CID 119775007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).