N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclopentylacetamide

C23H33ClN2O2 — CID 24758406

IUPACN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclopentylacetamide
SMILESCC(C)[C@@H](NC(=O)CC1CCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H33ClN2O2/c1-16(2)22(25-21(27)15-17-5-3-4-6-17)23(28)26-13-11-19(12-14-26)18-7-9-20(24)10-8-18/h7-10,16-17,19,22H,3-6,11-15H2,1-2H3,(H,25,27)/t22-/m1/s1
InChIKeyRUDHTCBFHFLADY-JOCHJYFZSA-N
MW404.98 g/mol
LogP4.77
Rot. Bonds6

About N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclopentylacetamide

N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclopentylacetamide (PubChem CID 24758406) has the molecular formula C23H33ClN2O2 and a molecular weight of 404.98 g/mol. Its IUPAC name is N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclopentylacetamide
PubChem CID24758406
Molecular FormulaC23H33ClN2O2
Molecular Weight404.98 g/mol
Exact Mass404.22
IUPAC NameN-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclopentylacetamide
SMILESCC(C)[C@@H](NC(=O)CC1CCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H33ClN2O2/c1-16(2)22(25-21(27)15-17-5-3-4-6-17)23(28)26-13-11-19(12-14-26)18-7-9-20(24)10-8-18/h7-10,16-17,19,22H,3-6,11-15H2,1-2H3,(H,25,27)/t22-/m1/s1
InChIKeyRUDHTCBFHFLADY-JOCHJYFZSA-N
XLogP4.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.98
LogP ≤ 54.77
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]-3-methyl-1-oxobutan-2-yl]-2-cyclopentylacetamide?
The IUPAC name of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclopentylacetamide (CID 24758406) is N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclopentylacetamide?
The canonical SMILES for N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclopentylacetamide is CC(C)[C@@H](NC(=O)CC1CCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclopentylacetamide?
The InChIKey is RUDHTCBFHFLADY-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H33ClN2O2/c1-16(2)22(25-21(27)15-17-5-3-4-6-17)23(28)26-13-11-19(12-14-26)18-7-9-20(24)10-8-18/h7-10,16-17,19,22H,3-6,11-15H2,1-2H3,(H,25,27)/t22-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclopentylacetamide?
N-[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-cyclopentylacetamide has a molecular weight of 404.98 g/mol, XLogP of 4.77, 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]-3-methyl-1-oxobutan-2-yl]-2-cyclopentylacetamide is sourced from PubChem (CID 24758406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).