1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone

C18H36N6O — CID 178104627

IUPAC1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCN2CCN(CCN3CCNCC3)CC2)CC1
InChIInChI=1S/C18H36N6O/c1-18(25)24-16-14-23(15-17-24)13-12-22-10-8-21(9-11-22)7-6-20-4-2-19-3-5-20/h19H,2-17H2,1H3
InChIKeyRPPCXANRACBNCD-UHFFFAOYSA-N
MW352.53 g/mol
LogP-1.33
Rot. Bonds6

About 1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone

1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone (PubChem CID 178104627) has the molecular formula C18H36N6O and a molecular weight of 352.53 g/mol. Its IUPAC name is 1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone
PubChem CID178104627
Molecular FormulaC18H36N6O
Molecular Weight352.53 g/mol
Exact Mass352.30
IUPAC Name1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCN2CCN(CCN3CCNCC3)CC2)CC1
InChIInChI=1S/C18H36N6O/c1-18(25)24-16-14-23(15-17-24)13-12-22-10-8-21(9-11-22)7-6-20-4-2-19-3-5-20/h19H,2-17H2,1H3
InChIKeyRPPCXANRACBNCD-UHFFFAOYSA-N
XLogP-1.33
TPSA45.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 178104609
ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
CID 178104636
1-(4-acetylpiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 28507184
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
ethene;1-piperazin-1-ylethanone
CID 145071339
1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 22120281
1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine
CID 91441427
1-((415N)1,4-diazinan-1-yl)propan-2-one
CID 58823346
2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
CID 70808226
3-[4-(piperazine-1-carbonyl)piperazin-1-yl]propanoic acid
CID 61405185
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
4-(4-acetylpiperazin-1-yl)butanoic acid
CID 20992242

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone (CID 178104627) is 1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCN2CCN(CCN3CCNCC3)CC2)CC1.
What is the InChIKey of 1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone?
The InChIKey is RPPCXANRACBNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N6O/c1-18(25)24-16-14-23(15-17-24)13-12-22-10-8-21(9-11-22)7-6-20-4-2-19-3-5-20/h19H,2-17H2,1H3.
What are the key properties of 1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone?
1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone has a molecular weight of 352.53 g/mol, XLogP of -1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 178104627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).