2-chloro-N-[(1R)-3-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide

C22H25ClN2O3 — CID 100910462

IUPAC2-chloro-N-[(1R)-3-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
SMILESC[C@@H]1C[C@H](O)CCN1C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C22H25ClN2O3/c1-15-13-17(26)11-12-25(15)21(27)14-20(16-7-3-2-4-8-16)24-22(28)18-9-5-6-10-19(18)23/h2-10,15,17,20,26H,11-14H2,1H3,(H,24,28)/t15-,17-,20-/m1/s1
InChIKeyNTWHYCGMRFUCIQ-WRWLIDTKSA-N
MW400.91 g/mol
LogP3.57
Rot. Bonds5

About 2-chloro-N-[(1R)-3-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide

2-chloro-N-[(1R)-3-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 100910462) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-3-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-3-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
PubChem CID100910462
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name2-chloro-N-[(1R)-3-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
SMILESC[C@@H]1C[C@H](O)CCN1C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C22H25ClN2O3/c1-15-13-17(26)11-12-25(15)21(27)14-20(16-7-3-2-4-8-16)24-22(28)18-9-5-6-10-19(18)23/h2-10,15,17,20,26H,11-14H2,1H3,(H,24,28)/t15-,17-,20-/m1/s1
InChIKeyNTWHYCGMRFUCIQ-WRWLIDTKSA-N
XLogP3.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[(1R)-3-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-3-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of 2-chloro-N-[(1R)-3-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide (CID 100910462) is 2-chloro-N-[(1R)-3-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1R)-3-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1R)-3-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide is C[C@@H]1C[C@H](O)CCN1C(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[(1R)-3-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is NTWHYCGMRFUCIQ-WRWLIDTKSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-15-13-17(26)11-12-25(15)21(27)14-20(16-7-3-2-4-8-16)24-22(28)18-9-5-6-10-19(18)23/h2-10,15,17,20,26H,11-14H2,1H3,(H,24,28)/t15-,17-,20-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-3-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
2-chloro-N-[(1R)-3-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 400.91 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-3-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 100910462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).