4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride

C11H22ClN3O2 — CID 119681640

IUPAC4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride
SMILESCl.NCCCCCCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C11H21N3O2.ClH/c12-6-4-2-1-3-5-11(16)14-8-7-13-10(15)9-14;/h1-9,12H2,(H,13,15);1H
InChIKeyYCAMEZXJZMPWPV-UHFFFAOYSA-N
MW263.77 g/mol
LogP0.28
Rot. Bonds6

About 4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride

4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride (PubChem CID 119681640) has the molecular formula C11H22ClN3O2 and a molecular weight of 263.77 g/mol. Its IUPAC name is 4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride
PubChem CID119681640
Molecular FormulaC11H22ClN3O2
Molecular Weight263.77 g/mol
Exact Mass263.14
IUPAC Name4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride
SMILESCl.NCCCCCCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C11H21N3O2.ClH/c12-6-4-2-1-3-5-11(16)14-8-7-13-10(15)9-14;/h1-9,12H2,(H,13,15);1H
InChIKeyYCAMEZXJZMPWPV-UHFFFAOYSA-N
XLogP0.28
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 50.28
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

6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid
CID 43447158
4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one
CID 65292594
N-[4-oxo-4-(3-oxopiperazin-1-yl)butyl]acetamide
CID 134028981
4-pentanoyl-1,4-diazepan-2-one
CID 62898703
4-(5-amino-2-methylpentanoyl)piperazin-2-one
CID 104683524
4-(3-ethoxypropanoyl)piperazin-2-one
CID 62849149
4-(7-aminoheptanoyl)-3,3-dimethylpiperazin-2-one;hydrochloride
CID 119775007
7-amino-1-pyrrolidin-1-ylheptan-1-one
CID 24707646
4-(3-propoxypropanoyl)piperazin-2-one
CID 62848969
1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione
CID 127255202
3-oxo-3-(3-oxopiperazin-1-yl)propanenitrile
CID 24700108
6-amino-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 106313917

Frequently Asked Questions

What is the IUPAC name of 4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride?
The IUPAC name of 4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride (CID 119681640) is 4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride.
What is the SMILES notation for 4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride?
The canonical SMILES for 4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride is Cl.NCCCCCCC(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride?
The InChIKey is YCAMEZXJZMPWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2.ClH/c12-6-4-2-1-3-5-11(16)14-8-7-13-10(15)9-14;/h1-9,12H2,(H,13,15);1H.
What are the key properties of 4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride?
4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-aminoheptanoyl)piperazin-2-one;hydrochloride is sourced from PubChem (CID 119681640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).