N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide

C31H30N2O2 — CID 118063243

IUPACN-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide
SMILESCN1CCC(Oc2ccc(-c3ccc(NC(=O)c4cccc(-c5ccccc5)c4)cc3)cc2)CC1
InChIInChI=1S/C31H30N2O2/c1-33-20-18-30(19-21-33)35-29-16-12-25(13-17-29)24-10-14-28(15-11-24)32-31(34)27-9-5-8-26(22-27)23-6-3-2-4-7-23/h2-17,22,30H,18-21H2,1H3,(H,32,34)
InChIKeyQZMUXQDDJJFLNF-UHFFFAOYSA-N
MW462.59 g/mol
LogP6.75
Rot. Bonds6

About N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide

N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide (PubChem CID 118063243) has the molecular formula C31H30N2O2 and a molecular weight of 462.59 g/mol. Its IUPAC name is N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide
PubChem CID118063243
Molecular FormulaC31H30N2O2
Molecular Weight462.59 g/mol
Exact Mass462.23
IUPAC NameN-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide
SMILESCN1CCC(Oc2ccc(-c3ccc(NC(=O)c4cccc(-c5ccccc5)c4)cc3)cc2)CC1
InChIInChI=1S/C31H30N2O2/c1-33-20-18-30(19-21-33)35-29-16-12-25(13-17-29)24-10-14-28(15-11-24)32-31(34)27-9-5-8-26(22-27)23-6-3-2-4-7-23/h2-17,22,30H,18-21H2,1H3,(H,32,34)
InChIKeyQZMUXQDDJJFLNF-UHFFFAOYSA-N
XLogP6.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide 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-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide?
The IUPAC name of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide (CID 118063243) is N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide.
What is the SMILES notation for N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide?
The canonical SMILES for N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide is CN1CCC(Oc2ccc(-c3ccc(NC(=O)c4cccc(-c5ccccc5)c4)cc3)cc2)CC1.
What is the InChIKey of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide?
The InChIKey is QZMUXQDDJJFLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O2/c1-33-20-18-30(19-21-33)35-29-16-12-25(13-17-29)24-10-14-28(15-11-24)32-31(34)27-9-5-8-26(22-27)23-6-3-2-4-7-23/h2-17,22,30H,18-21H2,1H3,(H,32,34).
What are the key properties of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide?
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide has a molecular weight of 462.59 g/mol, XLogP of 6.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide is sourced from PubChem (CID 118063243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).