1-piperazin-1-yl-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone

C16H32N4O2 — CID 170569689

IUPAC1-piperazin-1-yl-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
SMILESCC(C)OCCCN1CCN(CC(=O)N2CCNCC2)CC1
InChIInChI=1S/C16H32N4O2/c1-15(2)22-13-3-6-18-9-11-19(12-10-18)14-16(21)20-7-4-17-5-8-20/h15,17H,3-14H2,1-2H3
InChIKeyYGWGLYODFCFYIS-UHFFFAOYSA-N
MW312.46 g/mol
LogP-0.15
Rot. Bonds7

About 1-piperazin-1-yl-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone

1-piperazin-1-yl-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone (PubChem CID 170569689) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
PubChem CID170569689
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Name1-piperazin-1-yl-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
SMILESCC(C)OCCCN1CCN(CC(=O)N2CCNCC2)CC1
InChIInChI=1S/C16H32N4O2/c1-15(2)22-13-3-6-18-9-11-19(12-10-18)14-16(21)20-7-4-17-5-8-20/h15,17H,3-14H2,1-2H3
InChIKeyYGWGLYODFCFYIS-UHFFFAOYSA-N
XLogP-0.15
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone
CID 176777461
1-(6-propan-2-yloxyhexyl)piperazine
CID 148670601
2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
CID 94265647
2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 170371299
2-morpholin-4-yl-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 55506472
1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone
CID 171735482
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079
1-piperazin-1-yl-2-(2-propan-2-yloxyethoxy)propan-1-one
CID 24702682
1-(4-propan-2-yloxybutyl)pyrrolidine
CID 20742855
1-(4-methylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone
CID 170569122
2-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]acetic acid
CID 112602025
potassium [4-(3-propan-2-yloxypropyl)piperazin-1-yl]methanone
CID 167519739

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-piperazin-1-yl-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone (CID 170569689) is 1-piperazin-1-yl-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-piperazin-1-yl-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone is CC(C)OCCCN1CCN(CC(=O)N2CCNCC2)CC1.
What is the InChIKey of 1-piperazin-1-yl-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone?
The InChIKey is YGWGLYODFCFYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-15(2)22-13-3-6-18-9-11-19(12-10-18)14-16(21)20-7-4-17-5-8-20/h15,17H,3-14H2,1-2H3.
What are the key properties of 1-piperazin-1-yl-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone?
1-piperazin-1-yl-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone has a molecular weight of 312.46 g/mol, XLogP of -0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 170569689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).