(2R)-3-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]-2-hydroxypropanamide

C26H32Cl2N2O3 — CID 89480994

IUPAC(2R)-3-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]-2-hydroxypropanamide
SMILESCC(=O)C(C)(CCc1ccc(Cl)cc1)[C@H]1NC[C@@H](C[C@@H](O)C(N)=O)C[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C26H32Cl2N2O3/c1-16(31)26(2,11-10-17-6-8-20(27)9-7-17)24-22(19-4-3-5-21(28)14-19)12-18(15-30-24)13-23(32)25(29)33/h3-9,14,18,22-24,30,32H,10-13,15H2,1-2H3,(H2,29,33)/t18-,22-,23-,24+,26?/m1/s1
InChIKeyXPRKNYNRSNMHKY-SERFSYOGSA-N
MW491.46 g/mol
LogP4.52
Rot. Bonds9

About (2R)-3-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]-2-hydroxypropanamide

(2R)-3-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]-2-hydroxypropanamide (PubChem CID 89480994) has the molecular formula C26H32Cl2N2O3 and a molecular weight of 491.46 g/mol. Its IUPAC name is (2R)-3-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-3-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]-2-hydroxypropanamide
PubChem CID89480994
Molecular FormulaC26H32Cl2N2O3
Molecular Weight491.46 g/mol
Exact Mass490.18
IUPAC Name(2R)-3-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]-2-hydroxypropanamide
SMILESCC(=O)C(C)(CCc1ccc(Cl)cc1)[C@H]1NC[C@@H](C[C@@H](O)C(N)=O)C[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C26H32Cl2N2O3/c1-16(31)26(2,11-10-17-6-8-20(27)9-7-17)24-22(19-4-3-5-21(28)14-19)12-18(15-30-24)13-23(32)25(29)33/h3-9,14,18,22-24,30,32H,10-13,15H2,1-2H3,(H2,29,33)/t18-,22-,23-,24+,26?/m1/s1
InChIKeyXPRKNYNRSNMHKY-SERFSYOGSA-N
XLogP4.52
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.46
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-3-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]-2-hydroxypropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]-2-hydroxypropanamide?
The IUPAC name of (2R)-3-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]-2-hydroxypropanamide (CID 89480994) is (2R)-3-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]-2-hydroxypropanamide.
What is the SMILES notation for (2R)-3-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]-2-hydroxypropanamide?
The canonical SMILES for (2R)-3-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]-2-hydroxypropanamide is CC(=O)C(C)(CCc1ccc(Cl)cc1)[C@H]1NC[C@@H](C[C@@H](O)C(N)=O)C[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of (2R)-3-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]-2-hydroxypropanamide?
The InChIKey is XPRKNYNRSNMHKY-SERFSYOGSA-N. The full InChI is InChI=1S/C26H32Cl2N2O3/c1-16(31)26(2,11-10-17-6-8-20(27)9-7-17)24-22(19-4-3-5-21(28)14-19)12-18(15-30-24)13-23(32)25(29)33/h3-9,14,18,22-24,30,32H,10-13,15H2,1-2H3,(H2,29,33)/t18-,22-,23-,24+,26?/m1/s1.
What are the key properties of (2R)-3-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]-2-hydroxypropanamide?
(2R)-3-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]-2-hydroxypropanamide has a molecular weight of 491.46 g/mol, XLogP of 4.52, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(3R,5R,6S)-5-(3-chlorophenyl)-6-[1-(4-chlorophenyl)-3-methyl-4-oxopentan-3-yl]piperidin-3-yl]-2-hydroxypropanamide is sourced from PubChem (CID 89480994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).