(4R)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3S)-pyrrolidin-3-yl]piperidin-2-one

C15H18Cl2N2O2 — CID 167009014

IUPAC(4R)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3S)-pyrrolidin-3-yl]piperidin-2-one
SMILESO=C1C[C@H](c2c(O)ccc(Cl)c2Cl)CCN1[C@H]1CCNC1
InChIInChI=1S/C15H18Cl2N2O2/c16-11-1-2-12(20)14(15(11)17)9-4-6-19(13(21)7-9)10-3-5-18-8-10/h1-2,9-10,18,20H,3-8H2/t9-,10+/m1/s1
InChIKeyFRILSRBFKKWDLD-ZJUUUORDSA-N
MW329.23 g/mol
LogP2.77
Rot. Bonds2

About (4R)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3S)-pyrrolidin-3-yl]piperidin-2-one

(4R)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3S)-pyrrolidin-3-yl]piperidin-2-one (PubChem CID 167009014) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is (4R)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3S)-pyrrolidin-3-yl]piperidin-2-one.

Molecular Properties

Compound Name(4R)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3S)-pyrrolidin-3-yl]piperidin-2-one
PubChem CID167009014
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name(4R)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3S)-pyrrolidin-3-yl]piperidin-2-one
SMILESO=C1C[C@H](c2c(O)ccc(Cl)c2Cl)CCN1[C@H]1CCNC1
InChIInChI=1S/C15H18Cl2N2O2/c16-11-1-2-12(20)14(15(11)17)9-4-6-19(13(21)7-9)10-3-5-18-8-10/h1-2,9-10,18,20H,3-8H2/t9-,10+/m1/s1
InChIKeyFRILSRBFKKWDLD-ZJUUUORDSA-N
XLogP2.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3S)-pyrrolidin-3-yl]piperidin-2-one?
The IUPAC name of (4R)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3S)-pyrrolidin-3-yl]piperidin-2-one (CID 167009014) is (4R)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3S)-pyrrolidin-3-yl]piperidin-2-one.
What is the SMILES notation for (4R)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3S)-pyrrolidin-3-yl]piperidin-2-one?
The canonical SMILES for (4R)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3S)-pyrrolidin-3-yl]piperidin-2-one is O=C1C[C@H](c2c(O)ccc(Cl)c2Cl)CCN1[C@H]1CCNC1.
What is the InChIKey of (4R)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3S)-pyrrolidin-3-yl]piperidin-2-one?
The InChIKey is FRILSRBFKKWDLD-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c16-11-1-2-12(20)14(15(11)17)9-4-6-19(13(21)7-9)10-3-5-18-8-10/h1-2,9-10,18,20H,3-8H2/t9-,10+/m1/s1.
What are the key properties of (4R)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3S)-pyrrolidin-3-yl]piperidin-2-one?
(4R)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3S)-pyrrolidin-3-yl]piperidin-2-one has a molecular weight of 329.23 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,3-dichloro-6-hydroxyphenyl)-1-[(3S)-pyrrolidin-3-yl]piperidin-2-one is sourced from PubChem (CID 167009014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).