(3R)-3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-pyrrol-1-ylpropan-1-one

C24H24Cl2N2O2 — CID 124876525

IUPAC(3R)-3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-pyrrol-1-ylpropan-1-one
SMILESO=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H24Cl2N2O2/c25-20-7-3-18(4-8-20)22(27-13-1-2-14-27)17-23(29)28-15-11-24(30,12-16-28)19-5-9-21(26)10-6-19/h1-10,13-14,22,30H,11-12,15-17H2/t22-/m1/s1
InChIKeyFZYHCSHDXOHXNY-JOCHJYFZSA-N
MW443.37 g/mol
LogP5.28
Rot. Bonds5

About (3R)-3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-pyrrol-1-ylpropan-1-one

(3R)-3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-pyrrol-1-ylpropan-1-one (PubChem CID 124876525) has the molecular formula C24H24Cl2N2O2 and a molecular weight of 443.37 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-pyrrol-1-ylpropan-1-one
PubChem CID124876525
Molecular FormulaC24H24Cl2N2O2
Molecular Weight443.37 g/mol
Exact Mass442.12
IUPAC Name(3R)-3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-pyrrol-1-ylpropan-1-one
SMILESO=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H24Cl2N2O2/c25-20-7-3-18(4-8-20)22(27-13-1-2-14-27)17-23(29)28-15-11-24(30,12-16-28)19-5-9-21(26)10-6-19/h1-10,13-14,22,30H,11-12,15-17H2/t22-/m1/s1
InChIKeyFZYHCSHDXOHXNY-JOCHJYFZSA-N
XLogP5.28
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.37
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-pyrrol-1-ylpropan-1-one?
The IUPAC name of (3R)-3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-pyrrol-1-ylpropan-1-one (CID 124876525) is (3R)-3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-pyrrol-1-ylpropan-1-one?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-pyrrol-1-ylpropan-1-one is O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-pyrrol-1-ylpropan-1-one?
The InChIKey is FZYHCSHDXOHXNY-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H24Cl2N2O2/c25-20-7-3-18(4-8-20)22(27-13-1-2-14-27)17-23(29)28-15-11-24(30,12-16-28)19-5-9-21(26)10-6-19/h1-10,13-14,22,30H,11-12,15-17H2/t22-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-pyrrol-1-ylpropan-1-one?
(3R)-3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-pyrrol-1-ylpropan-1-one has a molecular weight of 443.37 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 124876525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).