[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-pyridin-3-ylpyrazolidin-3-yl)methanone

C20H23ClN4O2 — CID 133108799

IUPAC[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-pyridin-3-ylpyrazolidin-3-yl)methanone
SMILESO=C(C1CC(c2cccnc2)NN1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H23ClN4O2/c21-16-5-3-15(4-6-16)20(27)7-10-25(11-8-20)19(26)18-12-17(23-24-18)14-2-1-9-22-13-14/h1-6,9,13,17-18,23-24,27H,7-8,10-12H2
InChIKeyFPRAOBNGELEPHT-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.15
Rot. Bonds3

About [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-pyridin-3-ylpyrazolidin-3-yl)methanone

[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-pyridin-3-ylpyrazolidin-3-yl)methanone (PubChem CID 133108799) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-pyridin-3-ylpyrazolidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-pyridin-3-ylpyrazolidin-3-yl)methanone
PubChem CID133108799
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-pyridin-3-ylpyrazolidin-3-yl)methanone
SMILESO=C(C1CC(c2cccnc2)NN1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H23ClN4O2/c21-16-5-3-15(4-6-16)20(27)7-10-25(11-8-20)19(26)18-12-17(23-24-18)14-2-1-9-22-13-14/h1-6,9,13,17-18,23-24,27H,7-8,10-12H2
InChIKeyFPRAOBNGELEPHT-UHFFFAOYSA-N
XLogP2.15
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-pyridin-3-ylpyrazolidin-3-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-pyridin-3-ylpyrazolidin-3-yl)methanone (CID 133108799) is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-pyridin-3-ylpyrazolidin-3-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-pyridin-3-ylpyrazolidin-3-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-pyridin-3-ylpyrazolidin-3-yl)methanone is O=C(C1CC(c2cccnc2)NN1)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-pyridin-3-ylpyrazolidin-3-yl)methanone?
The InChIKey is FPRAOBNGELEPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c21-16-5-3-15(4-6-16)20(27)7-10-25(11-8-20)19(26)18-12-17(23-24-18)14-2-1-9-22-13-14/h1-6,9,13,17-18,23-24,27H,7-8,10-12H2.
What are the key properties of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-pyridin-3-ylpyrazolidin-3-yl)methanone?
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-pyridin-3-ylpyrazolidin-3-yl)methanone has a molecular weight of 386.88 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-pyridin-3-ylpyrazolidin-3-yl)methanone is sourced from PubChem (CID 133108799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).