N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(3-chlorophenyl)acetamide

C20H21ClN2O3 — CID 91832335

IUPACN-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O
InChIInChI=1S/C20H21ClN2O3/c21-16-8-4-5-14(11-16)12-19(25)22-17-9-10-23(13-18(17)24)20(26)15-6-2-1-3-7-15/h1-8,11,17-18,24H,9-10,12-13H2,(H,22,25)/t17-,18-/m1/s1
InChIKeyDOMSFPZTFUYNAH-QZTJIDSGSA-N
MW372.85 g/mol
LogP2.27
Rot. Bonds4

About N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(3-chlorophenyl)acetamide

N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(3-chlorophenyl)acetamide (PubChem CID 91832335) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(3-chlorophenyl)acetamide
PubChem CID91832335
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC NameN-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O
InChIInChI=1S/C20H21ClN2O3/c21-16-8-4-5-14(11-16)12-19(25)22-17-9-10-23(13-18(17)24)20(26)15-6-2-1-3-7-15/h1-8,11,17-18,24H,9-10,12-13H2,(H,22,25)/t17-,18-/m1/s1
InChIKeyDOMSFPZTFUYNAH-QZTJIDSGSA-N
XLogP2.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(3-chlorophenyl)acetamide (CID 91832335) is N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(3-chlorophenyl)acetamide is O=C(Cc1cccc(Cl)c1)N[C@@H]1CCN(C(=O)c2ccccc2)C[C@H]1O.
What is the InChIKey of N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(3-chlorophenyl)acetamide?
The InChIKey is DOMSFPZTFUYNAH-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c21-16-8-4-5-14(11-16)12-19(25)22-17-9-10-23(13-18(17)24)20(26)15-6-2-1-3-7-15/h1-8,11,17-18,24H,9-10,12-13H2,(H,22,25)/t17-,18-/m1/s1.
What are the key properties of N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(3-chlorophenyl)acetamide?
N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(3-chlorophenyl)acetamide has a molecular weight of 372.85 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 91832335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).