1,10-di(piperazin-1-yl)decane-1,10-dione

C18H34N4O2 — CID 19981244

IUPAC1,10-di(piperazin-1-yl)decane-1,10-dione
SMILESO=C(CCCCCCCCC(=O)N1CCNCC1)N1CCNCC1
InChIInChI=1S/C18H34N4O2/c23-17(21-13-9-19-10-14-21)7-5-3-1-2-4-6-8-18(24)22-15-11-20-12-16-22/h19-20H,1-16H2
InChIKeyMKSFNGUCXXFBKJ-UHFFFAOYSA-N
MW338.50 g/mol
LogP0.97
Rot. Bonds9

About 1,10-di(piperazin-1-yl)decane-1,10-dione

1,10-di(piperazin-1-yl)decane-1,10-dione (PubChem CID 19981244) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 1,10-di(piperazin-1-yl)decane-1,10-dione.

Molecular Properties

Compound Name1,10-di(piperazin-1-yl)decane-1,10-dione
PubChem CID19981244
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name1,10-di(piperazin-1-yl)decane-1,10-dione
SMILESO=C(CCCCCCCCC(=O)N1CCNCC1)N1CCNCC1
InChIInChI=1S/C18H34N4O2/c23-17(21-13-9-19-10-14-21)7-5-3-1-2-4-6-8-18(24)22-15-11-20-12-16-22/h19-20H,1-16H2
InChIKeyMKSFNGUCXXFBKJ-UHFFFAOYSA-N
XLogP0.97
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 50.97
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

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1-(1,4-diazepan-1-yl)-5-hydroxypentan-1-one
CID 79199915
5-oxo-5-piperazin-1-ylpentanehydrazide
CID 2760267
1-piperazin-1-yl-4-piperidin-1-ylbutan-1-one
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1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
1-(1,4-diazepan-1-yl)-5,5-dimethylhexan-1-one
CID 119418751
1-piperazin-1-ylundec-10-yn-1-one;2,2,2-trifluoroacetic acid
CID 90101929
1-(4-piperidin-4-ylpiperidin-1-yl)tridecan-1-one;hydrochloride
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N-(4-oxo-4-piperazin-1-ylbutyl)propanamide
CID 28709367

Frequently Asked Questions

What is the IUPAC name of 1,10-di(piperazin-1-yl)decane-1,10-dione?
The IUPAC name of 1,10-di(piperazin-1-yl)decane-1,10-dione (CID 19981244) is 1,10-di(piperazin-1-yl)decane-1,10-dione.
What is the SMILES notation for 1,10-di(piperazin-1-yl)decane-1,10-dione?
The canonical SMILES for 1,10-di(piperazin-1-yl)decane-1,10-dione is O=C(CCCCCCCCC(=O)N1CCNCC1)N1CCNCC1.
What is the InChIKey of 1,10-di(piperazin-1-yl)decane-1,10-dione?
The InChIKey is MKSFNGUCXXFBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c23-17(21-13-9-19-10-14-21)7-5-3-1-2-4-6-8-18(24)22-15-11-20-12-16-22/h19-20H,1-16H2.
What are the key properties of 1,10-di(piperazin-1-yl)decane-1,10-dione?
1,10-di(piperazin-1-yl)decane-1,10-dione has a molecular weight of 338.50 g/mol, XLogP of 0.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-di(piperazin-1-yl)decane-1,10-dione is sourced from PubChem (CID 19981244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).