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

C15H30N4O — CID 170861389

IUPAC2-(4-methylpiperazin-1-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone
SMILESCCCNC1CCN(C(=O)CN2CCN(C)CC2)CC1
InChIInChI=1S/C15H30N4O/c1-3-6-16-14-4-7-19(8-5-14)15(20)13-18-11-9-17(2)10-12-18/h14,16H,3-13H2,1-2H3
InChIKeyRYXMRKKIDRKSAR-UHFFFAOYSA-N
MW282.43 g/mol
LogP0.22
Rot. Bonds5

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

2-(4-methylpiperazin-1-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone (PubChem CID 170861389) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone
PubChem CID170861389
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name2-(4-methylpiperazin-1-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone
SMILESCCCNC1CCN(C(=O)CN2CCN(C)CC2)CC1
InChIInChI=1S/C15H30N4O/c1-3-6-16-14-4-7-19(8-5-14)15(20)13-18-11-9-17(2)10-12-18/h14,16H,3-13H2,1-2H3
InChIKeyRYXMRKKIDRKSAR-UHFFFAOYSA-N
XLogP0.22
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone (CID 170861389) is 2-(4-methylpiperazin-1-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone is CCCNC1CCN(C(=O)CN2CCN(C)CC2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone?
The InChIKey is RYXMRKKIDRKSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-3-6-16-14-4-7-19(8-5-14)15(20)13-18-11-9-17(2)10-12-18/h14,16H,3-13H2,1-2H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone?
2-(4-methylpiperazin-1-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone has a molecular weight of 282.43 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 170861389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).