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

C19H38N4O2 — CID 170371298

IUPAC2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)OCCCN1CCN(CC(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H38N4O2/c1-17(2)22-11-13-23(14-12-22)19(24)16-21-9-7-20(8-10-21)6-5-15-25-18(3)4/h17-18H,5-16H2,1-4H3
InChIKeyMAZZTGDCMVEUBX-UHFFFAOYSA-N
MW354.54 g/mol
LogP0.97
Rot. Bonds8

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

2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 170371298) has the molecular formula C19H38N4O2 and a molecular weight of 354.54 g/mol. Its IUPAC name is 2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID170371298
Molecular FormulaC19H38N4O2
Molecular Weight354.54 g/mol
Exact Mass354.30
IUPAC Name2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)OCCCN1CCN(CC(=O)N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H38N4O2/c1-17(2)22-11-13-23(14-12-22)19(24)16-21-9-7-20(8-10-21)6-5-15-25-18(3)4/h17-18H,5-16H2,1-4H3
InChIKeyMAZZTGDCMVEUBX-UHFFFAOYSA-N
XLogP0.97
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 170371298) is 2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)OCCCN1CCN(CC(=O)N2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is MAZZTGDCMVEUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O2/c1-17(2)22-11-13-23(14-12-22)19(24)16-21-9-7-20(8-10-21)6-5-15-25-18(3)4/h17-18H,5-16H2,1-4H3.
What are the key properties of 2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 354.54 g/mol, XLogP of 0.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170371298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).