1-(1-methylpyrazol-4-yl)-3-(4-quinolin-2-ylpiperazin-1-yl)piperidin-2-one

C22H26N6O — CID 127394882

IUPAC1-(1-methylpyrazol-4-yl)-3-(4-quinolin-2-ylpiperazin-1-yl)piperidin-2-one
SMILESCn1cc(N2CCCC(N3CCN(c4ccc5ccccc5n4)CC3)C2=O)cn1
InChIInChI=1S/C22H26N6O/c1-25-16-18(15-23-25)28-10-4-7-20(22(28)29)26-11-13-27(14-12-26)21-9-8-17-5-2-3-6-19(17)24-21/h2-3,5-6,8-9,15-16,20H,4,7,10-14H2,1H3
InChIKeyLOJUJBNQYIXMPE-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.29
Rot. Bonds3

About 1-(1-methylpyrazol-4-yl)-3-(4-quinolin-2-ylpiperazin-1-yl)piperidin-2-one

1-(1-methylpyrazol-4-yl)-3-(4-quinolin-2-ylpiperazin-1-yl)piperidin-2-one (PubChem CID 127394882) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-3-(4-quinolin-2-ylpiperazin-1-yl)piperidin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-3-(4-quinolin-2-ylpiperazin-1-yl)piperidin-2-one
PubChem CID127394882
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name1-(1-methylpyrazol-4-yl)-3-(4-quinolin-2-ylpiperazin-1-yl)piperidin-2-one
SMILESCn1cc(N2CCCC(N3CCN(c4ccc5ccccc5n4)CC3)C2=O)cn1
InChIInChI=1S/C22H26N6O/c1-25-16-18(15-23-25)28-10-4-7-20(22(28)29)26-11-13-27(14-12-26)21-9-8-17-5-2-3-6-19(17)24-21/h2-3,5-6,8-9,15-16,20H,4,7,10-14H2,1H3
InChIKeyLOJUJBNQYIXMPE-UHFFFAOYSA-N
XLogP2.29
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-3-(4-quinolin-2-ylpiperazin-1-yl)piperidin-2-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-3-(4-quinolin-2-ylpiperazin-1-yl)piperidin-2-one (CID 127394882) is 1-(1-methylpyrazol-4-yl)-3-(4-quinolin-2-ylpiperazin-1-yl)piperidin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-3-(4-quinolin-2-ylpiperazin-1-yl)piperidin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-3-(4-quinolin-2-ylpiperazin-1-yl)piperidin-2-one is Cn1cc(N2CCCC(N3CCN(c4ccc5ccccc5n4)CC3)C2=O)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-3-(4-quinolin-2-ylpiperazin-1-yl)piperidin-2-one?
The InChIKey is LOJUJBNQYIXMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-25-16-18(15-23-25)28-10-4-7-20(22(28)29)26-11-13-27(14-12-26)21-9-8-17-5-2-3-6-19(17)24-21/h2-3,5-6,8-9,15-16,20H,4,7,10-14H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-3-(4-quinolin-2-ylpiperazin-1-yl)piperidin-2-one?
1-(1-methylpyrazol-4-yl)-3-(4-quinolin-2-ylpiperazin-1-yl)piperidin-2-one has a molecular weight of 390.49 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-3-(4-quinolin-2-ylpiperazin-1-yl)piperidin-2-one is sourced from PubChem (CID 127394882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).