4-[N-(1-benzylpiperidin-4-yl)-3-(1-hydroxyethyl)anilino]-N,N-diethylbenzamide

C31H39N3O2 — CID 45483251

IUPAC4-[N-(1-benzylpiperidin-4-yl)-3-(1-hydroxyethyl)anilino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(C(C)O)c2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C31H39N3O2/c1-4-33(5-2)31(36)26-14-16-28(17-15-26)34(30-13-9-12-27(22-30)24(3)35)29-18-20-32(21-19-29)23-25-10-7-6-8-11-25/h6-17,22,24,29,35H,4-5,18-21,23H2,1-3H3
InChIKeyDBFHDFUSJJCBCW-UHFFFAOYSA-N
MW485.67 g/mol
LogP6.02
Rot. Bonds9

About 4-[N-(1-benzylpiperidin-4-yl)-3-(1-hydroxyethyl)anilino]-N,N-diethylbenzamide

4-[N-(1-benzylpiperidin-4-yl)-3-(1-hydroxyethyl)anilino]-N,N-diethylbenzamide (PubChem CID 45483251) has the molecular formula C31H39N3O2 and a molecular weight of 485.67 g/mol. Its IUPAC name is 4-[N-(1-benzylpiperidin-4-yl)-3-(1-hydroxyethyl)anilino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[N-(1-benzylpiperidin-4-yl)-3-(1-hydroxyethyl)anilino]-N,N-diethylbenzamide
PubChem CID45483251
Molecular FormulaC31H39N3O2
Molecular Weight485.67 g/mol
Exact Mass485.30
IUPAC Name4-[N-(1-benzylpiperidin-4-yl)-3-(1-hydroxyethyl)anilino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2cccc(C(C)O)c2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C31H39N3O2/c1-4-33(5-2)31(36)26-14-16-28(17-15-26)34(30-13-9-12-27(22-30)24(3)35)29-18-20-32(21-19-29)23-25-10-7-6-8-11-25/h6-17,22,24,29,35H,4-5,18-21,23H2,1-3H3
InChIKeyDBFHDFUSJJCBCW-UHFFFAOYSA-N
XLogP6.02
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.67
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[N-(1-benzylpiperidin-4-yl)-3-(1-hydroxyethyl)anilino]-N,N-diethylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-((1-benzylpiperidin-4-yl)(3-hydroxyphenyl)amino)-N,N-diethylbenzamide
CID 9911987
N,N-diethyl-4-((3-hydroxyphenyl)(1-phenethylpiperidin-4-yl)amino)benzamide
CID 45486055
5-hydroxy-1-[4-(2-methylbenzoylamino)benzoyl]-2,3,4,5-tetrahydro-1H-benzazepine
CID 10715974
N-[4-[(5S)-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 15416417
N-[4-[(5R)-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 15416418
4-((1-benzylpiperidin-4-yl)(3-formylphenyl)amino)-N,N-diethylbenzamide
CID 45483211
4-((3-acetylphenyl)(1-benzylpiperidin-4-yl)amino)-N,N-diethylbenzamide
CID 45483259
4-((1-benzylpiperidin-4-yl)(3-(hydroxymethyl)phenyl)amino)-N,N-diethylbenzamide
CID 45483286
Methyl 3-((1-benzylpiperidin-4-yl)(4-(diethylcarbamoyl)phenyl)amino)benzoate
CID 45483648
N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1R)-1-phenylethyl]amino]butan-2-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 71521075
N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1R)-1-phenylethyl]amino]butan-2-yl]-4-(3-methylpiperazin-1-yl)benzamide
CID 71521076
N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(1R)-1-phenylethyl]amino]butan-2-yl]-4-[methyl-(1-methylpiperidin-4-yl)amino]benzamide
CID 71521171

Frequently Asked Questions

What is the IUPAC name of 4-[N-(1-benzylpiperidin-4-yl)-3-(1-hydroxyethyl)anilino]-N,N-diethylbenzamide?
The IUPAC name of 4-[N-(1-benzylpiperidin-4-yl)-3-(1-hydroxyethyl)anilino]-N,N-diethylbenzamide (CID 45483251) is 4-[N-(1-benzylpiperidin-4-yl)-3-(1-hydroxyethyl)anilino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[N-(1-benzylpiperidin-4-yl)-3-(1-hydroxyethyl)anilino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[N-(1-benzylpiperidin-4-yl)-3-(1-hydroxyethyl)anilino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(N(c2cccc(C(C)O)c2)C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[N-(1-benzylpiperidin-4-yl)-3-(1-hydroxyethyl)anilino]-N,N-diethylbenzamide?
The InChIKey is DBFHDFUSJJCBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3O2/c1-4-33(5-2)31(36)26-14-16-28(17-15-26)34(30-13-9-12-27(22-30)24(3)35)29-18-20-32(21-19-29)23-25-10-7-6-8-11-25/h6-17,22,24,29,35H,4-5,18-21,23H2,1-3H3.
What are the key properties of 4-[N-(1-benzylpiperidin-4-yl)-3-(1-hydroxyethyl)anilino]-N,N-diethylbenzamide?
4-[N-(1-benzylpiperidin-4-yl)-3-(1-hydroxyethyl)anilino]-N,N-diethylbenzamide has a molecular weight of 485.67 g/mol, XLogP of 6.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(1-benzylpiperidin-4-yl)-3-(1-hydroxyethyl)anilino]-N,N-diethylbenzamide is sourced from PubChem (CID 45483251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).