N,N-diethyl-4-(N-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide

C30H36FN3O2 — CID 45486035

IUPACN,N-diethyl-4-(N-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C30H36FN3O2/c1-3-33(4-2)30(36)24-11-13-26(14-12-24)34(28-9-6-10-29(35)22-28)27-16-19-32(20-17-27)18-15-23-7-5-8-25(31)21-23/h5-14,21-22,27,35H,3-4,15-20H2,1-2H3
InChIKeyKNAWLGCFMHPKJM-UHFFFAOYSA-N
MW489.64 g/mol
LogP5.86
Rot. Bonds9

About N,N-diethyl-4-(N-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide

N,N-diethyl-4-(N-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide (PubChem CID 45486035) has the molecular formula C30H36FN3O2 and a molecular weight of 489.64 g/mol. Its IUPAC name is N,N-diethyl-4-(N-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-(N-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide
PubChem CID45486035
Molecular FormulaC30H36FN3O2
Molecular Weight489.64 g/mol
Exact Mass489.28
IUPAC NameN,N-diethyl-4-(N-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C30H36FN3O2/c1-3-33(4-2)30(36)24-11-13-26(14-12-24)34(28-9-6-10-29(35)22-28)27-16-19-32(20-17-27)18-15-23-7-5-8-25(31)21-23/h5-14,21-22,27,35H,3-4,15-20H2,1-2H3
InChIKeyKNAWLGCFMHPKJM-UHFFFAOYSA-N
XLogP5.86
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.64
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(N-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide?
The IUPAC name of N,N-diethyl-4-(N-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide (CID 45486035) is N,N-diethyl-4-(N-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide.
What is the SMILES notation for N,N-diethyl-4-(N-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide?
The canonical SMILES for N,N-diethyl-4-(N-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide is CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(CCc3cccc(F)c3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-(N-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide?
The InChIKey is KNAWLGCFMHPKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36FN3O2/c1-3-33(4-2)30(36)24-11-13-26(14-12-24)34(28-9-6-10-29(35)22-28)27-16-19-32(20-17-27)18-15-23-7-5-8-25(31)21-23/h5-14,21-22,27,35H,3-4,15-20H2,1-2H3.
What are the key properties of N,N-diethyl-4-(N-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide?
N,N-diethyl-4-(N-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide has a molecular weight of 489.64 g/mol, XLogP of 5.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(N-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyanilino)benzamide is sourced from PubChem (CID 45486035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).