1-[4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)piperidin-1-yl]ethanone

C16H31N3O — CID 59639466

IUPAC1-[4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CC(C)C)(N2CCN(C)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-14(2)13-16(19-11-9-17(4)10-12-19)5-7-18(8-6-16)15(3)20/h14H,5-13H2,1-4H3
InChIKeyWMQVFZPFDZNJKR-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.66
Rot. Bonds3

About 1-[4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)piperidin-1-yl]ethanone

1-[4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)piperidin-1-yl]ethanone (PubChem CID 59639466) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)piperidin-1-yl]ethanone
PubChem CID59639466
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-[4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CC(C)C)(N2CCN(C)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-14(2)13-16(19-11-9-17(4)10-12-19)5-7-18(8-6-16)15(3)20/h14H,5-13H2,1-4H3
InChIKeyWMQVFZPFDZNJKR-UHFFFAOYSA-N
XLogP1.66
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)piperidin-1-yl]ethanone (CID 59639466) is 1-[4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(CC(C)C)(N2CCN(C)CC2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)piperidin-1-yl]ethanone?
The InChIKey is WMQVFZPFDZNJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-14(2)13-16(19-11-9-17(4)10-12-19)5-7-18(8-6-16)15(3)20/h14H,5-13H2,1-4H3.
What are the key properties of 1-[4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)piperidin-1-yl]ethanone?
1-[4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)piperidin-1-yl]ethanone has a molecular weight of 281.44 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperazin-1-yl)-4-(2-methylpropyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 59639466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).