N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]-2-phenylacetamide

C29H31ClN2O2 — CID 16756520

IUPACN-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(C2CCN(CCCC(=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C29H31ClN2O2/c30-26-13-11-24(12-14-26)28(33)10-5-17-32-18-15-23(16-19-32)25-8-4-9-27(21-25)31-29(34)20-22-6-2-1-3-7-22/h1-4,6-9,11-14,21,23H,5,10,15-20H2,(H,31,34)
InChIKeyUIHOENHXMONZDL-UHFFFAOYSA-N
MW475.03 g/mol
LogP6.36
Rot. Bonds9

About N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]-2-phenylacetamide

N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]-2-phenylacetamide (PubChem CID 16756520) has the molecular formula C29H31ClN2O2 and a molecular weight of 475.03 g/mol. Its IUPAC name is N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]-2-phenylacetamide
PubChem CID16756520
Molecular FormulaC29H31ClN2O2
Molecular Weight475.03 g/mol
Exact Mass474.21
IUPAC NameN-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(C2CCN(CCCC(=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C29H31ClN2O2/c30-26-13-11-24(12-14-26)28(33)10-5-17-32-18-15-23(16-19-32)25-8-4-9-27(21-25)31-29(34)20-22-6-2-1-3-7-22/h1-4,6-9,11-14,21,23H,5,10,15-20H2,(H,31,34)
InChIKeyUIHOENHXMONZDL-UHFFFAOYSA-N
XLogP6.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.03
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]-2-phenylacetamide (CID 16756520) is N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cccc(C2CCN(CCCC(=O)c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]-2-phenylacetamide?
The InChIKey is UIHOENHXMONZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN2O2/c30-26-13-11-24(12-14-26)28(33)10-5-17-32-18-15-23(16-19-32)25-8-4-9-27(21-25)31-29(34)20-22-6-2-1-3-7-22/h1-4,6-9,11-14,21,23H,5,10,15-20H2,(H,31,34).
What are the key properties of N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]-2-phenylacetamide?
N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]-2-phenylacetamide has a molecular weight of 475.03 g/mol, XLogP of 6.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 16756520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).