N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-phenylacetamide

C23H27ClN2O2 — CID 24758744

IUPACN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-phenylacetamide
SMILESCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H27ClN2O2/c1-2-21(25-22(27)16-17-6-4-3-5-7-17)23(28)26-14-12-19(13-15-26)18-8-10-20(24)11-9-18/h3-11,19,21H,2,12-16H2,1H3,(H,25,27)/t21-/m1/s1
InChIKeyAONVLWLNGSANCR-OAQYLSRUSA-N
MW398.93 g/mol
LogP4.18
Rot. Bonds6

About N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-phenylacetamide

N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-phenylacetamide (PubChem CID 24758744) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-phenylacetamide
PubChem CID24758744
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC NameN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-phenylacetamide
SMILESCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H27ClN2O2/c1-2-21(25-22(27)16-17-6-4-3-5-7-17)23(28)26-14-12-19(13-15-26)18-8-10-20(24)11-9-18/h3-11,19,21H,2,12-16H2,1H3,(H,25,27)/t21-/m1/s1
InChIKeyAONVLWLNGSANCR-OAQYLSRUSA-N
XLogP4.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-phenylacetamide?
The IUPAC name of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-phenylacetamide (CID 24758744) is N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-phenylacetamide is CC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-phenylacetamide?
The InChIKey is AONVLWLNGSANCR-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c1-2-21(25-22(27)16-17-6-4-3-5-7-17)23(28)26-14-12-19(13-15-26)18-8-10-20(24)11-9-18/h3-11,19,21H,2,12-16H2,1H3,(H,25,27)/t21-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-phenylacetamide?
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-phenylacetamide has a molecular weight of 398.93 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-1-oxobutan-2-yl]-2-phenylacetamide is sourced from PubChem (CID 24758744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).