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

C18H24N6O — CID 97075628

IUPAC(3R)-1-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-ylpiperazin-1-yl)piperidin-2-one
SMILESCn1cc(N2CCC[C@@H](N3CCN(c4ccncc4)CC3)C2=O)cn1
InChIInChI=1S/C18H24N6O/c1-21-14-16(13-20-21)24-8-2-3-17(18(24)25)23-11-9-22(10-12-23)15-4-6-19-7-5-15/h4-7,13-14,17H,2-3,8-12H2,1H3/t17-/m1/s1
InChIKeyKWMUNJRURIWGNP-QGZVFWFLSA-N
MW340.43 g/mol
LogP1.13
Rot. Bonds3

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

(3R)-1-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-ylpiperazin-1-yl)piperidin-2-one (PubChem CID 97075628) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is (3R)-1-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-ylpiperazin-1-yl)piperidin-2-one.

Molecular Properties

Compound Name(3R)-1-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-ylpiperazin-1-yl)piperidin-2-one
PubChem CID97075628
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name(3R)-1-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-ylpiperazin-1-yl)piperidin-2-one
SMILESCn1cc(N2CCC[C@@H](N3CCN(c4ccncc4)CC3)C2=O)cn1
InChIInChI=1S/C18H24N6O/c1-21-14-16(13-20-21)24-8-2-3-17(18(24)25)23-11-9-22(10-12-23)15-4-6-19-7-5-15/h4-7,13-14,17H,2-3,8-12H2,1H3/t17-/m1/s1
InChIKeyKWMUNJRURIWGNP-QGZVFWFLSA-N
XLogP1.13
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-ylpiperazin-1-yl)piperidin-2-one?
The IUPAC name of (3R)-1-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-ylpiperazin-1-yl)piperidin-2-one (CID 97075628) is (3R)-1-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-ylpiperazin-1-yl)piperidin-2-one.
What is the SMILES notation for (3R)-1-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-ylpiperazin-1-yl)piperidin-2-one?
The canonical SMILES for (3R)-1-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-ylpiperazin-1-yl)piperidin-2-one is Cn1cc(N2CCC[C@@H](N3CCN(c4ccncc4)CC3)C2=O)cn1.
What is the InChIKey of (3R)-1-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-ylpiperazin-1-yl)piperidin-2-one?
The InChIKey is KWMUNJRURIWGNP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N6O/c1-21-14-16(13-20-21)24-8-2-3-17(18(24)25)23-11-9-22(10-12-23)15-4-6-19-7-5-15/h4-7,13-14,17H,2-3,8-12H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-1-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-ylpiperazin-1-yl)piperidin-2-one?
(3R)-1-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-ylpiperazin-1-yl)piperidin-2-one has a molecular weight of 340.43 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-methylpyrazol-4-yl)-3-(4-pyridin-4-ylpiperazin-1-yl)piperidin-2-one is sourced from PubChem (CID 97075628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).