7-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]heptan-1-one

C15H32N4O — CID 62888089

IUPAC7-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]heptan-1-one
SMILESCN(C)CCN1CCN(C(=O)CCCCCCN)CC1
InChIInChI=1S/C15H32N4O/c1-17(2)9-10-18-11-13-19(14-12-18)15(20)7-5-3-4-6-8-16/h3-14,16H2,1-2H3
InChIKeyQRWVJHYCXWWQHI-UHFFFAOYSA-N
MW284.45 g/mol
LogP0.60
Rot. Bonds9

About 7-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]heptan-1-one

7-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]heptan-1-one (PubChem CID 62888089) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 7-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]heptan-1-one.

Molecular Properties

Compound Name7-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]heptan-1-one
PubChem CID62888089
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name7-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]heptan-1-one
SMILESCN(C)CCN1CCN(C(=O)CCCCCCN)CC1
InChIInChI=1S/C15H32N4O/c1-17(2)9-10-18-11-13-19(14-12-18)15(20)7-5-3-4-6-8-16/h3-14,16H2,1-2H3
InChIKeyQRWVJHYCXWWQHI-UHFFFAOYSA-N
XLogP0.60
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-(methylamino)butan-1-one
CID 62890166
1-[4-(5-aminopentyl)-1,4-diazepan-1-yl]hexan-1-one
CID 43252098
1-[4-(2-aminoethyl)piperazin-1-yl]nonan-1-one
CID 65449474
6-amino-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]hexan-1-one
CID 107218302
N-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide
CID 62884866
4-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]butan-1-one
CID 54872719
7-amino-1-pyrrolidin-1-ylheptan-1-one
CID 24707646
1-(4-acetylpiperazin-1-yl)-6-(dimethylamino)hexan-1-one;ethane
CID 165146140
3-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 64679136
7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
CID 63207884
1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]butan-1-one
CID 43251859
2-[4-(7-aminoheptanoyl)-1,4-diazepan-1-yl]acetic acid
CID 62823391

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]heptan-1-one?
The IUPAC name of 7-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]heptan-1-one (CID 62888089) is 7-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]heptan-1-one.
What is the SMILES notation for 7-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]heptan-1-one?
The canonical SMILES for 7-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]heptan-1-one is CN(C)CCN1CCN(C(=O)CCCCCCN)CC1.
What is the InChIKey of 7-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]heptan-1-one?
The InChIKey is QRWVJHYCXWWQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-17(2)9-10-18-11-13-19(14-12-18)15(20)7-5-3-4-6-8-16/h3-14,16H2,1-2H3.
What are the key properties of 7-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]heptan-1-one?
7-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]heptan-1-one has a molecular weight of 284.45 g/mol, XLogP of 0.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]heptan-1-one is sourced from PubChem (CID 62888089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).