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

C31H30N2O2 — CID 118063757

IUPACN-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
SMILESCN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3)cc2)CC1
InChIInChI=1S/C31H30N2O2/c1-33-21-19-30(20-22-33)35-29-17-13-26(14-18-29)25-11-15-28(16-12-25)32-31(34)27-9-7-24(8-10-27)23-5-3-2-4-6-23/h2-18,30H,19-22H2,1H3,(H,32,34)
InChIKeyJQTZTWMVBZQSMO-UHFFFAOYSA-N
MW462.59 g/mol
LogP6.75
Rot. Bonds6

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

N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide (PubChem CID 118063757) 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]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
PubChem CID118063757
Molecular FormulaC31H30N2O2
Molecular Weight462.59 g/mol
Exact Mass462.23
IUPAC NameN-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
SMILESCN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3)cc2)CC1
InChIInChI=1S/C31H30N2O2/c1-33-21-19-30(20-22-33)35-29-17-13-26(14-18-29)25-11-15-28(16-12-25)32-31(34)27-9-7-24(8-10-27)23-5-3-2-4-6-23/h2-18,30H,19-22H2,1H3,(H,32,34)
InChIKeyJQTZTWMVBZQSMO-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

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Related Compounds

N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide
CID 118063587
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-1-carboxamide
CID 118063788
3,5-dichloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 171152518
[3-[2-hydroxy-5-[[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]carbamoyl]phenyl]phenyl] acetate
CID 118063387
4-[dimethylsulfamoyl(methyl)amino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 53278475
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 53277962
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide
CID 131913221
2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957
4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063683
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 131890028
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 99971328
4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide
CID 118063377

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide (CID 118063757) is N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide is CN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3)cc2)CC1.
What is the InChIKey of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide?
The InChIKey is JQTZTWMVBZQSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O2/c1-33-21-19-30(20-22-33)35-29-17-13-26(14-18-29)25-11-15-28(16-12-25)32-31(34)27-9-7-24(8-10-27)23-5-3-2-4-6-23/h2-18,30H,19-22H2,1H3,(H,32,34).
What are the key properties of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide?
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-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]-4-phenylbenzamide is sourced from PubChem (CID 118063757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).