N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-pentyl-N-[(4-pyridin-3-ylphenyl)methyl]benzamide

C36H41N3O2 — CID 10302679

IUPACN-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-pentyl-N-[(4-pyridin-3-ylphenyl)methyl]benzamide
SMILESCCCCCc1ccc(C(=O)N(Cc2ccc(-c3cccnc3)cc2)C2CCN(Cc3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C36H41N3O2/c1-2-3-4-6-28-8-16-32(17-9-28)36(41)39(27-30-10-14-31(15-11-30)33-7-5-22-37-25-33)34-20-23-38(24-21-34)26-29-12-18-35(40)19-13-29/h5,7-19,22,25,34,40H,2-4,6,20-21,23-24,26-27H2,1H3
InChIKeyPJFJRTVPXPGIOV-UHFFFAOYSA-N
MW547.74 g/mol
LogP7.49
Rot. Bonds11

About N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-pentyl-N-[(4-pyridin-3-ylphenyl)methyl]benzamide

N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-pentyl-N-[(4-pyridin-3-ylphenyl)methyl]benzamide (PubChem CID 10302679) has the molecular formula C36H41N3O2 and a molecular weight of 547.74 g/mol. Its IUPAC name is N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-pentyl-N-[(4-pyridin-3-ylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-pentyl-N-[(4-pyridin-3-ylphenyl)methyl]benzamide
PubChem CID10302679
Molecular FormulaC36H41N3O2
Molecular Weight547.74 g/mol
Exact Mass547.32
IUPAC NameN-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-pentyl-N-[(4-pyridin-3-ylphenyl)methyl]benzamide
SMILESCCCCCc1ccc(C(=O)N(Cc2ccc(-c3cccnc3)cc2)C2CCN(Cc3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C36H41N3O2/c1-2-3-4-6-28-8-16-32(17-9-28)36(41)39(27-30-10-14-31(15-11-30)33-7-5-22-37-25-33)34-20-23-38(24-21-34)26-29-12-18-35(40)19-13-29/h5,7-19,22,25,34,40H,2-4,6,20-21,23-24,26-27H2,1H3
InChIKeyPJFJRTVPXPGIOV-UHFFFAOYSA-N
XLogP7.49
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.74
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-5-phenylphenyl)-4-{[(pyridin-3-ylmethyl)amino]methyl}benzamide
CID 25159049
N-(2-hydroxy-5-phenylphenyl)-4-({[1-(pyridin-4-yl)ethyl]amino}methyl)benzamide
CID 25218547
N,N-diethyl-4-((3-hydroxyphenyl)(1-(2-(pyridin-2-yl)ethyl)piperidin-4-yl)amino)benzamide
CID 45486018
3'-hydroxy-N-[4-(3-pyridinyl)butyl][1,1'-biphenyl]-4-carboxamide
CID 14570085
4-hydroxy-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)pyridin-2-yl]methyl]benzamide
CID 89642036
N-[(3-hydroxyphenyl)methyl]-4-pyridin-4-ylbenzamide
CID 134475022
1-[4-[4-[4-[2-(4-Hydroxyphenyl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 136016467
N,N-diethyl-4-((3-hydroxyphenyl)(1-(2-(pyridin-4-yl)ethyl)piperidin-4-yl)amino)benzamide
CID 45486012
3-fluoro-4-hydroxy-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
CID 71453796
4-hydroxy-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
CID 71455527
4-[3-(3,5-difluoro-4-hydroxyphenyl)-4-pyridinyl]-N-methylbenzamide
CID 122186028
[5-(4-Hydroxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-3-ylmethanone
CID 135860261

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-pentyl-N-[(4-pyridin-3-ylphenyl)methyl]benzamide?
The IUPAC name of N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-pentyl-N-[(4-pyridin-3-ylphenyl)methyl]benzamide (CID 10302679) is N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-pentyl-N-[(4-pyridin-3-ylphenyl)methyl]benzamide.
What is the SMILES notation for N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-pentyl-N-[(4-pyridin-3-ylphenyl)methyl]benzamide?
The canonical SMILES for N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-pentyl-N-[(4-pyridin-3-ylphenyl)methyl]benzamide is CCCCCc1ccc(C(=O)N(Cc2ccc(-c3cccnc3)cc2)C2CCN(Cc3ccc(O)cc3)CC2)cc1.
What is the InChIKey of N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-pentyl-N-[(4-pyridin-3-ylphenyl)methyl]benzamide?
The InChIKey is PJFJRTVPXPGIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N3O2/c1-2-3-4-6-28-8-16-32(17-9-28)36(41)39(27-30-10-14-31(15-11-30)33-7-5-22-37-25-33)34-20-23-38(24-21-34)26-29-12-18-35(40)19-13-29/h5,7-19,22,25,34,40H,2-4,6,20-21,23-24,26-27H2,1H3.
What are the key properties of N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-pentyl-N-[(4-pyridin-3-ylphenyl)methyl]benzamide?
N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-pentyl-N-[(4-pyridin-3-ylphenyl)methyl]benzamide has a molecular weight of 547.74 g/mol, XLogP of 7.49, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-pentyl-N-[(4-pyridin-3-ylphenyl)methyl]benzamide is sourced from PubChem (CID 10302679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).