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

C13H26N4O — CID 50989053

IUPAC2-[4-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCNC1CCN(CC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N4O/c1-14-12-3-5-16(6-4-12)11-13(18)17-9-7-15(2)8-10-17/h12,14H,3-11H2,1-2H3
InChIKeyFTQIPPUKFGHNPN-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.56
Rot. Bonds3

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

2-[4-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 50989053) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[4-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID50989053
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-[4-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCNC1CCN(CC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N4O/c1-14-12-3-5-16(6-4-12)11-13(18)17-9-7-15(2)8-10-17/h12,14H,3-11H2,1-2H3
InChIKeyFTQIPPUKFGHNPN-UHFFFAOYSA-N
XLogP-0.56
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 50989053) is 2-[4-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is CNC1CCN(CC(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of 2-[4-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is FTQIPPUKFGHNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-14-12-3-5-16(6-4-12)11-13(18)17-9-7-15(2)8-10-17/h12,14H,3-11H2,1-2H3.
What are the key properties of 2-[4-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[4-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 254.38 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 50989053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).