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

C15H29N3O — CID 173117441

IUPAC1-[4-[2-(4-methylpiperazin-1-yl)propyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CC(C)N2CCN(C)CC2)CC1
InChIInChI=1S/C15H29N3O/c1-13(17-10-8-16(3)9-11-17)12-15-4-6-18(7-5-15)14(2)19/h13,15H,4-12H2,1-3H3
InChIKeySTACBXRBNXHNRP-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.27
Rot. Bonds3

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

1-[4-[2-(4-methylpiperazin-1-yl)propyl]piperidin-1-yl]ethanone (PubChem CID 173117441) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[4-[2-(4-methylpiperazin-1-yl)propyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(4-methylpiperazin-1-yl)propyl]piperidin-1-yl]ethanone
PubChem CID173117441
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-[4-[2-(4-methylpiperazin-1-yl)propyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(CC(C)N2CCN(C)CC2)CC1
InChIInChI=1S/C15H29N3O/c1-13(17-10-8-16(3)9-11-17)12-15-4-6-18(7-5-15)14(2)19/h13,15H,4-12H2,1-3H3
InChIKeySTACBXRBNXHNRP-UHFFFAOYSA-N
XLogP1.27
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-methylpiperazin-1-yl)propyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(4-methylpiperazin-1-yl)propyl]piperidin-1-yl]ethanone (CID 173117441) is 1-[4-[2-(4-methylpiperazin-1-yl)propyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(4-methylpiperazin-1-yl)propyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(4-methylpiperazin-1-yl)propyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(CC(C)N2CCN(C)CC2)CC1.
What is the InChIKey of 1-[4-[2-(4-methylpiperazin-1-yl)propyl]piperidin-1-yl]ethanone?
The InChIKey is STACBXRBNXHNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(17-10-8-16(3)9-11-17)12-15-4-6-18(7-5-15)14(2)19/h13,15H,4-12H2,1-3H3.
What are the key properties of 1-[4-[2-(4-methylpiperazin-1-yl)propyl]piperidin-1-yl]ethanone?
1-[4-[2-(4-methylpiperazin-1-yl)propyl]piperidin-1-yl]ethanone has a molecular weight of 267.42 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-methylpiperazin-1-yl)propyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 173117441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).