1-[4-[2-[2-(4-propan-2-ylpiperazin-1-yl)cyclopropyl]propan-2-yl]piperazin-1-yl]ethanone

C19H36N4O — CID 167004585

IUPAC1-[4-[2-[2-(4-propan-2-ylpiperazin-1-yl)cyclopropyl]propan-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(C)(C)C2CC2N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H36N4O/c1-15(2)20-6-8-22(9-7-20)18-14-17(18)19(4,5)23-12-10-21(11-13-23)16(3)24/h15,17-18H,6-14H2,1-5H3
InChIKeyFJKCURMYTMYYRL-UHFFFAOYSA-N
MW336.52 g/mol
LogP1.34
Rot. Bonds4

About 1-[4-[2-[2-(4-propan-2-ylpiperazin-1-yl)cyclopropyl]propan-2-yl]piperazin-1-yl]ethanone

1-[4-[2-[2-(4-propan-2-ylpiperazin-1-yl)cyclopropyl]propan-2-yl]piperazin-1-yl]ethanone (PubChem CID 167004585) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-[4-[2-[2-(4-propan-2-ylpiperazin-1-yl)cyclopropyl]propan-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[2-(4-propan-2-ylpiperazin-1-yl)cyclopropyl]propan-2-yl]piperazin-1-yl]ethanone
PubChem CID167004585
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC Name1-[4-[2-[2-(4-propan-2-ylpiperazin-1-yl)cyclopropyl]propan-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(C)(C)C2CC2N2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H36N4O/c1-15(2)20-6-8-22(9-7-20)18-14-17(18)19(4,5)23-12-10-21(11-13-23)16(3)24/h15,17-18H,6-14H2,1-5H3
InChIKeyFJKCURMYTMYYRL-UHFFFAOYSA-N
XLogP1.34
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-(4-propan-2-ylpiperazin-1-yl)cyclopropyl]propan-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[2-(4-propan-2-ylpiperazin-1-yl)cyclopropyl]propan-2-yl]piperazin-1-yl]ethanone (CID 167004585) is 1-[4-[2-[2-(4-propan-2-ylpiperazin-1-yl)cyclopropyl]propan-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[2-(4-propan-2-ylpiperazin-1-yl)cyclopropyl]propan-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[2-(4-propan-2-ylpiperazin-1-yl)cyclopropyl]propan-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(C)(C)C2CC2N2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-[4-[2-[2-(4-propan-2-ylpiperazin-1-yl)cyclopropyl]propan-2-yl]piperazin-1-yl]ethanone?
The InChIKey is FJKCURMYTMYYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O/c1-15(2)20-6-8-22(9-7-20)18-14-17(18)19(4,5)23-12-10-21(11-13-23)16(3)24/h15,17-18H,6-14H2,1-5H3.
What are the key properties of 1-[4-[2-[2-(4-propan-2-ylpiperazin-1-yl)cyclopropyl]propan-2-yl]piperazin-1-yl]ethanone?
1-[4-[2-[2-(4-propan-2-ylpiperazin-1-yl)cyclopropyl]propan-2-yl]piperazin-1-yl]ethanone has a molecular weight of 336.52 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2-(4-propan-2-ylpiperazin-1-yl)cyclopropyl]propan-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 167004585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).