N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]acetamide

C29H32N2O3 — CID 16756404

IUPACN-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCC(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1
InChIInChI=1S/C29H32N2O3/c1-22(32)30-26-8-5-7-25(21-26)23-16-19-31(20-17-23)18-6-11-29(33)24-12-14-28(15-13-24)34-27-9-3-2-4-10-27/h2-5,7-10,12-15,21,23H,6,11,16-20H2,1H3,(H,30,32)
InChIKeyHKIBDKKNDIBQNU-UHFFFAOYSA-N
MW456.59 g/mol
LogP6.28
Rot. Bonds9

About N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]acetamide

N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 16756404) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]acetamide
PubChem CID16756404
Molecular FormulaC29H32N2O3
Molecular Weight456.59 g/mol
Exact Mass456.24
IUPAC NameN-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCC(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1
InChIInChI=1S/C29H32N2O3/c1-22(32)30-26-8-5-7-25(21-26)23-16-19-31(20-17-23)18-6-11-29(33)24-12-14-28(15-13-24)34-27-9-3-2-4-10-27/h2-5,7-10,12-15,21,23H,6,11,16-20H2,1H3,(H,30,32)
InChIKeyHKIBDKKNDIBQNU-UHFFFAOYSA-N
XLogP6.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]acetamide (CID 16756404) is N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCC(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1.
What is the InChIKey of N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is HKIBDKKNDIBQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O3/c1-22(32)30-26-8-5-7-25(21-26)23-16-19-31(20-17-23)18-6-11-29(33)24-12-14-28(15-13-24)34-27-9-3-2-4-10-27/h2-5,7-10,12-15,21,23H,6,11,16-20H2,1H3,(H,30,32).
What are the key properties of N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 456.59 g/mol, XLogP of 6.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 16756404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).