1-(4-methylpiperazin-1-yl)-4-(3-propylpyrrolidin-1-yl)butan-1-one

C16H31N3O — CID 167480070

IUPAC1-(4-methylpiperazin-1-yl)-4-(3-propylpyrrolidin-1-yl)butan-1-one
SMILESCCCC1CCN(CCCC(=O)N2CCN(C)CC2)C1
InChIInChI=1S/C16H31N3O/c1-3-5-15-7-9-18(14-15)8-4-6-16(20)19-12-10-17(2)11-13-19/h15H,3-14H2,1-2H3
InChIKeyGYDIASXAKBUQAL-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.66
Rot. Bonds6

About 1-(4-methylpiperazin-1-yl)-4-(3-propylpyrrolidin-1-yl)butan-1-one

1-(4-methylpiperazin-1-yl)-4-(3-propylpyrrolidin-1-yl)butan-1-one (PubChem CID 167480070) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-4-(3-propylpyrrolidin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-4-(3-propylpyrrolidin-1-yl)butan-1-one
PubChem CID167480070
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-(4-methylpiperazin-1-yl)-4-(3-propylpyrrolidin-1-yl)butan-1-one
SMILESCCCC1CCN(CCCC(=O)N2CCN(C)CC2)C1
InChIInChI=1S/C16H31N3O/c1-3-5-15-7-9-18(14-15)8-4-6-16(20)19-12-10-17(2)11-13-19/h15H,3-14H2,1-2H3
InChIKeyGYDIASXAKBUQAL-UHFFFAOYSA-N
XLogP1.66
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-4-(3-propylpyrrolidin-1-yl)butan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-4-(3-propylpyrrolidin-1-yl)butan-1-one (CID 167480070) is 1-(4-methylpiperazin-1-yl)-4-(3-propylpyrrolidin-1-yl)butan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-4-(3-propylpyrrolidin-1-yl)butan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-4-(3-propylpyrrolidin-1-yl)butan-1-one is CCCC1CCN(CCCC(=O)N2CCN(C)CC2)C1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-4-(3-propylpyrrolidin-1-yl)butan-1-one?
The InChIKey is GYDIASXAKBUQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-5-15-7-9-18(14-15)8-4-6-16(20)19-12-10-17(2)11-13-19/h15H,3-14H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-4-(3-propylpyrrolidin-1-yl)butan-1-one?
1-(4-methylpiperazin-1-yl)-4-(3-propylpyrrolidin-1-yl)butan-1-one has a molecular weight of 281.44 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-4-(3-propylpyrrolidin-1-yl)butan-1-one is sourced from PubChem (CID 167480070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).