[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone

C18H21ClN4O2S — CID 133110151

IUPAC[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone
SMILESO=C(C1CC(c2cccs2)NN1)N1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C18H21ClN4O2S/c19-13-3-1-7-20-17(13)25-12-5-8-23(9-6-12)18(24)15-11-14(21-22-15)16-4-2-10-26-16/h1-4,7,10,12,14-15,21-22H,5-6,8-9,11H2
InChIKeyCFLHGQTVLJZIRL-UHFFFAOYSA-N
MW392.91 g/mol
LogP2.77
Rot. Bonds4

About [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone

[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone (PubChem CID 133110151) has the molecular formula C18H21ClN4O2S and a molecular weight of 392.91 g/mol. Its IUPAC name is [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone.

Molecular Properties

Compound Name[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone
PubChem CID133110151
Molecular FormulaC18H21ClN4O2S
Molecular Weight392.91 g/mol
Exact Mass392.11
IUPAC Name[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone
SMILESO=C(C1CC(c2cccs2)NN1)N1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C18H21ClN4O2S/c19-13-3-1-7-20-17(13)25-12-5-8-23(9-6-12)18(24)15-11-14(21-22-15)16-4-2-10-26-16/h1-4,7,10,12,14-15,21-22H,5-6,8-9,11H2
InChIKeyCFLHGQTVLJZIRL-UHFFFAOYSA-N
XLogP2.77
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone?
The IUPAC name of [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone (CID 133110151) is [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone.
What is the SMILES notation for [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone?
The canonical SMILES for [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone is O=C(C1CC(c2cccs2)NN1)N1CCC(Oc2ncccc2Cl)CC1.
What is the InChIKey of [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone?
The InChIKey is CFLHGQTVLJZIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2S/c19-13-3-1-7-20-17(13)25-12-5-8-23(9-6-12)18(24)15-11-14(21-22-15)16-4-2-10-26-16/h1-4,7,10,12,14-15,21-22H,5-6,8-9,11H2.
What are the key properties of [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone?
[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone has a molecular weight of 392.91 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone is sourced from PubChem (CID 133110151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).