(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone

C20H24N2O2S — CID 156601702

IUPAC(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC(O)(c2ccccc2)C(N2CCCC2)C1
InChIInChI=1S/C20H24N2O2S/c23-19(16-8-13-25-15-16)22-12-9-20(24,17-6-2-1-3-7-17)18(14-22)21-10-4-5-11-21/h1-3,6-8,13,15,18,24H,4-5,9-12,14H2
InChIKeyLALSGQHULQGMOP-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.95
Rot. Bonds3

About (4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone

(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone (PubChem CID 156601702) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is (4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone
PubChem CID156601702
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC(O)(c2ccccc2)C(N2CCCC2)C1
InChIInChI=1S/C20H24N2O2S/c23-19(16-8-13-25-15-16)22-12-9-20(24,17-6-2-1-3-7-17)18(14-22)21-10-4-5-11-21/h1-3,6-8,13,15,18,24H,4-5,9-12,14H2
InChIKeyLALSGQHULQGMOP-UHFFFAOYSA-N
XLogP2.95
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone?
The IUPAC name of (4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone (CID 156601702) is (4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC(O)(c2ccccc2)C(N2CCCC2)C1.
What is the InChIKey of (4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone?
The InChIKey is LALSGQHULQGMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c23-19(16-8-13-25-15-16)22-12-9-20(24,17-6-2-1-3-7-17)18(14-22)21-10-4-5-11-21/h1-3,6-8,13,15,18,24H,4-5,9-12,14H2.
What are the key properties of (4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone?
(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone has a molecular weight of 356.49 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 156601702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).