N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]-1,2,5-trimethylpyrrole-3-carboxamide

C33H34N4O4 — CID 67114185

IUPACN-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]-1,2,5-trimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(=O)c3ccc(NC(=O)c4ccc(N5CCC(O)CC5)cc4)cc3)cc2)c(C)n1C
InChIInChI=1S/C33H34N4O4/c1-21-20-30(22(2)36(21)3)33(41)35-27-12-6-24(7-13-27)31(39)23-4-10-26(11-5-23)34-32(40)25-8-14-28(15-9-25)37-18-16-29(38)17-19-37/h4-15,20,29,38H,16-19H2,1-3H3,(H,34,40)(H,35,41)
InChIKeyUZCKHFHPMAEUCQ-UHFFFAOYSA-N
MW550.66 g/mol
LogP5.34
Rot. Bonds7

About N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]-1,2,5-trimethylpyrrole-3-carboxamide

N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]-1,2,5-trimethylpyrrole-3-carboxamide (PubChem CID 67114185) has the molecular formula C33H34N4O4 and a molecular weight of 550.66 g/mol. Its IUPAC name is N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]-1,2,5-trimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]-1,2,5-trimethylpyrrole-3-carboxamide
PubChem CID67114185
Molecular FormulaC33H34N4O4
Molecular Weight550.66 g/mol
Exact Mass550.26
IUPAC NameN-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]-1,2,5-trimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C(=O)c3ccc(NC(=O)c4ccc(N5CCC(O)CC5)cc4)cc3)cc2)c(C)n1C
InChIInChI=1S/C33H34N4O4/c1-21-20-30(22(2)36(21)3)33(41)35-27-12-6-24(7-13-27)31(39)23-4-10-26(11-5-23)34-32(40)25-8-14-28(15-9-25)37-18-16-29(38)17-19-37/h4-15,20,29,38H,16-19H2,1-3H3,(H,34,40)(H,35,41)
InChIKeyUZCKHFHPMAEUCQ-UHFFFAOYSA-N
XLogP5.34
TPSA103.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.66
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331512
1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyrrole-2-carboxamide
CID 175279921
4-(4-hydroxypiperidin-1-yl)-N-[4-[4-(4,5,6,7-tetrahydroindol-1-yl)benzoyl]phenyl]benzamide
CID 141334575
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyridine-2-carboxamide
CID 67112599
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-1H-pyrrole-3-carboxamide
CID 67114265
N-[3-fluoro-4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-1,5-dimethylpyrrole-2-carboxamide
CID 67113275
4-(4-hydroxypiperidin-1-yl)-N-(4-methoxy-3-methylphenyl)benzamide
CID 111331962
N-[4-(4-aminoanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67112995
N-[4-[4-[4-(4-hydroxypiperidin-1-yl)anilino]benzoyl]phenyl]-1H-pyrazole-4-carboxamide
CID 67113232
N-[1-[4-(cyclopropylcarbamoyl)phenyl]-2-methylindol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67113301
N-[4-(4-hydroxypiperidin-1-yl)phenyl]acetamide
CID 57253854
N-[4-[2-chloro-4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67114493

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]-1,2,5-trimethylpyrrole-3-carboxamide?
The IUPAC name of N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]-1,2,5-trimethylpyrrole-3-carboxamide (CID 67114185) is N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]-1,2,5-trimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]-1,2,5-trimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]-1,2,5-trimethylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(C(=O)c3ccc(NC(=O)c4ccc(N5CCC(O)CC5)cc4)cc3)cc2)c(C)n1C.
What is the InChIKey of N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]-1,2,5-trimethylpyrrole-3-carboxamide?
The InChIKey is UZCKHFHPMAEUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O4/c1-21-20-30(22(2)36(21)3)33(41)35-27-12-6-24(7-13-27)31(39)23-4-10-26(11-5-23)34-32(40)25-8-14-28(15-9-25)37-18-16-29(38)17-19-37/h4-15,20,29,38H,16-19H2,1-3H3,(H,34,40)(H,35,41).
What are the key properties of N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]-1,2,5-trimethylpyrrole-3-carboxamide?
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]-1,2,5-trimethylpyrrole-3-carboxamide has a molecular weight of 550.66 g/mol, XLogP of 5.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]-1,2,5-trimethylpyrrole-3-carboxamide is sourced from PubChem (CID 67114185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).