1-(4-ethylpiperazin-1-yl)-3-[1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidin-4-yl]propan-1-one

C23H39N5O2 — CID 26321423

IUPAC1-(4-ethylpiperazin-1-yl)-3-[1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidin-4-yl]propan-1-one
SMILESCCN1CCN(C(=O)CCC2CCN(C(=O)CCc3c(C)nn(C)c3C)CC2)CC1
InChIInChI=1S/C23H39N5O2/c1-5-26-14-16-28(17-15-26)22(29)8-6-20-10-12-27(13-11-20)23(30)9-7-21-18(2)24-25(4)19(21)3/h20H,5-17H2,1-4H3
InChIKeyXAMQPKLBNLLAJZ-UHFFFAOYSA-N
MW417.60 g/mol
LogP2.15
Rot. Bonds7

About 1-(4-ethylpiperazin-1-yl)-3-[1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidin-4-yl]propan-1-one

1-(4-ethylpiperazin-1-yl)-3-[1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidin-4-yl]propan-1-one (PubChem CID 26321423) has the molecular formula C23H39N5O2 and a molecular weight of 417.60 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-[1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-[1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidin-4-yl]propan-1-one
PubChem CID26321423
Molecular FormulaC23H39N5O2
Molecular Weight417.60 g/mol
Exact Mass417.31
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-[1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidin-4-yl]propan-1-one
SMILESCCN1CCN(C(=O)CCC2CCN(C(=O)CCc3c(C)nn(C)c3C)CC2)CC1
InChIInChI=1S/C23H39N5O2/c1-5-26-14-16-28(17-15-26)22(29)8-6-20-10-12-27(13-11-20)23(30)9-7-21-18(2)24-25(4)19(21)3/h20H,5-17H2,1-4H3
InChIKeyXAMQPKLBNLLAJZ-UHFFFAOYSA-N
XLogP2.15
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-[1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidin-4-yl]propan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-[1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidin-4-yl]propan-1-one (CID 26321423) is 1-(4-ethylpiperazin-1-yl)-3-[1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-[1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-[1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidin-4-yl]propan-1-one is CCN1CCN(C(=O)CCC2CCN(C(=O)CCc3c(C)nn(C)c3C)CC2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-[1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidin-4-yl]propan-1-one?
The InChIKey is XAMQPKLBNLLAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O2/c1-5-26-14-16-28(17-15-26)22(29)8-6-20-10-12-27(13-11-20)23(30)9-7-21-18(2)24-25(4)19(21)3/h20H,5-17H2,1-4H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-[1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidin-4-yl]propan-1-one?
1-(4-ethylpiperazin-1-yl)-3-[1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidin-4-yl]propan-1-one has a molecular weight of 417.60 g/mol, XLogP of 2.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-[1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidin-4-yl]propan-1-one is sourced from PubChem (CID 26321423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).