4-[4-[3-tert-butyl-5-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide

C34H36N4O4 — CID 169271874

IUPAC4-[4-[3-tert-butyl-5-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCN(C(=O)c4cc(-c5cncc(O)c5)cc(C(C)(C)C)c4)CC3)cc2)cc1
InChIInChI=1S/C34H36N4O4/c1-34(2,3)27-18-24(26-20-30(39)22-35-21-26)17-25(19-27)33(41)38-15-13-37(14-16-38)29-9-5-23(6-10-29)32(40)36-28-7-11-31(42-4)12-8-28/h5-12,17-22,39H,13-16H2,1-4H3,(H,36,40)
InChIKeyUZQNGLVVKNQUPB-UHFFFAOYSA-N
MW564.69 g/mol
LogP5.97
Rot. Bonds6

About 4-[4-[3-tert-butyl-5-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide

4-[4-[3-tert-butyl-5-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide (PubChem CID 169271874) has the molecular formula C34H36N4O4 and a molecular weight of 564.69 g/mol. Its IUPAC name is 4-[4-[3-tert-butyl-5-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[4-[3-tert-butyl-5-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide
PubChem CID169271874
Molecular FormulaC34H36N4O4
Molecular Weight564.69 g/mol
Exact Mass564.27
IUPAC Name4-[4-[3-tert-butyl-5-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(N3CCN(C(=O)c4cc(-c5cncc(O)c5)cc(C(C)(C)C)c4)CC3)cc2)cc1
InChIInChI=1S/C34H36N4O4/c1-34(2,3)27-18-24(26-20-30(39)22-35-21-26)17-25(19-27)33(41)38-15-13-37(14-16-38)29-9-5-23(6-10-29)32(40)36-28-7-11-31(42-4)12-8-28/h5-12,17-22,39H,13-16H2,1-4H3,(H,36,40)
InChIKeyUZQNGLVVKNQUPB-UHFFFAOYSA-N
XLogP5.97
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[3-tert-butyl-5-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-propylbenzamide
CID 169271030
1-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)urea
CID 42663789
4-[4-[3-[4-(3-hydroxyphenyl)pyrazol-1-yl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide
CID 169270978
N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
CID 17335407
4-chloro-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17335383
N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]-4-iodobenzamide
CID 17127949
N-[4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]benzamide
CID 55917529
3,4-dichloro-N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17127951
4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide
CID 169273112
N-(4-methoxyphenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103828
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
2-(4-tert-butylphenoxy)-N-[4-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 17128071

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-tert-butyl-5-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-[4-[3-tert-butyl-5-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide (CID 169271874) is 4-[4-[3-tert-butyl-5-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[4-[3-tert-butyl-5-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-[4-[3-tert-butyl-5-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(N3CCN(C(=O)c4cc(-c5cncc(O)c5)cc(C(C)(C)C)c4)CC3)cc2)cc1.
What is the InChIKey of 4-[4-[3-tert-butyl-5-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide?
The InChIKey is UZQNGLVVKNQUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N4O4/c1-34(2,3)27-18-24(26-20-30(39)22-35-21-26)17-25(19-27)33(41)38-15-13-37(14-16-38)29-9-5-23(6-10-29)32(40)36-28-7-11-31(42-4)12-8-28/h5-12,17-22,39H,13-16H2,1-4H3,(H,36,40).
What are the key properties of 4-[4-[3-tert-butyl-5-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide?
4-[4-[3-tert-butyl-5-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide has a molecular weight of 564.69 g/mol, XLogP of 5.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-tert-butyl-5-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 169271874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).