1-[4-[2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]piperazin-1-yl]propan-1-one

C21H41N5O — CID 146180703

IUPAC1-[4-[2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CC(C)(C)N2CCC(N3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C21H41N5O/c1-5-20(27)25-16-12-23(13-17-25)18-21(2,3)26-8-6-19(7-9-26)24-14-10-22(4)11-15-24/h19H,5-18H2,1-4H3
InChIKeyQMRQQGOQPZRPOO-UHFFFAOYSA-N
MW379.59 g/mol
LogP1.03
Rot. Bonds5

About 1-[4-[2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]piperazin-1-yl]propan-1-one

1-[4-[2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]piperazin-1-yl]propan-1-one (PubChem CID 146180703) has the molecular formula C21H41N5O and a molecular weight of 379.59 g/mol. Its IUPAC name is 1-[4-[2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]piperazin-1-yl]propan-1-one
PubChem CID146180703
Molecular FormulaC21H41N5O
Molecular Weight379.59 g/mol
Exact Mass379.33
IUPAC Name1-[4-[2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CC(C)(C)N2CCC(N3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C21H41N5O/c1-5-20(27)25-16-12-23(13-17-25)18-21(2,3)26-8-6-19(7-9-26)24-14-10-22(4)11-15-24/h19H,5-18H2,1-4H3
InChIKeyQMRQQGOQPZRPOO-UHFFFAOYSA-N
XLogP1.03
TPSA33.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.59
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]piperazin-1-yl]propan-1-one (CID 146180703) is 1-[4-[2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(CC(C)(C)N2CCC(N3CCN(C)CC3)CC2)CC1.
What is the InChIKey of 1-[4-[2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]piperazin-1-yl]propan-1-one?
The InChIKey is QMRQQGOQPZRPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N5O/c1-5-20(27)25-16-12-23(13-17-25)18-21(2,3)26-8-6-19(7-9-26)24-14-10-22(4)11-15-24/h19H,5-18H2,1-4H3.
What are the key properties of 1-[4-[2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]piperazin-1-yl]propan-1-one?
1-[4-[2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]piperazin-1-yl]propan-1-one has a molecular weight of 379.59 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]propyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 146180703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).