1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyrrole-2-carboxamide

C30H28N4O4 — CID 175279921

IUPAC1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyrrole-2-carboxamide
SMILESNC(=O)c1cccn1-c1ccc(C(=O)c2ccc(NC(=O)c3ccc(N4CCC(O)CC4)cc3)cc2)cc1
InChIInChI=1S/C30H28N4O4/c31-29(37)27-2-1-17-34(27)25-13-5-21(6-14-25)28(36)20-3-9-23(10-4-20)32-30(38)22-7-11-24(12-8-22)33-18-15-26(35)16-19-33/h1-14,17,26,35H,15-16,18-19H2,(H2,31,37)(H,32,38)
InChIKeyCZXFHBVOTVOUAF-UHFFFAOYSA-N
MW508.58 g/mol
LogP4.02
Rot. Bonds7

About 1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyrrole-2-carboxamide

1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyrrole-2-carboxamide (PubChem CID 175279921) has the molecular formula C30H28N4O4 and a molecular weight of 508.58 g/mol. Its IUPAC name is 1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyrrole-2-carboxamide
PubChem CID175279921
Molecular FormulaC30H28N4O4
Molecular Weight508.58 g/mol
Exact Mass508.21
IUPAC Name1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyrrole-2-carboxamide
SMILESNC(=O)c1cccn1-c1ccc(C(=O)c2ccc(NC(=O)c3ccc(N4CCC(O)CC4)cc3)cc2)cc1
InChIInChI=1S/C30H28N4O4/c31-29(37)27-2-1-17-34(27)25-13-5-21(6-14-25)28(36)20-3-9-23(10-4-20)32-30(38)22-7-11-24(12-8-22)33-18-15-26(35)16-19-33/h1-14,17,26,35H,15-16,18-19H2,(H2,31,37)(H,32,38)
InChIKeyCZXFHBVOTVOUAF-UHFFFAOYSA-N
XLogP4.02
TPSA117.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.58
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331512
N-[4-(4-aminoanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67112995
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 67114185
1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]indole-6-carboxamide
CID 174703326
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]-N-(1-methylpyrrole-2-carbonyl)anilino]phenyl]-1-methylpyrrole-2-carboxamide
CID 71040952
N-[4-[4-[4-(4-hydroxypiperidin-1-yl)anilino]benzoyl]phenyl]-1H-pyrazole-4-carboxamide
CID 67113232
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-1H-pyrrole-3-carboxamide
CID 67114265
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
N-[4-[2-chloro-4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67114493
N-[4-(4-amino-2-fluoroanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67112608

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyrrole-2-carboxamide?
The IUPAC name of 1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyrrole-2-carboxamide (CID 175279921) is 1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyrrole-2-carboxamide is NC(=O)c1cccn1-c1ccc(C(=O)c2ccc(NC(=O)c3ccc(N4CCC(O)CC4)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyrrole-2-carboxamide?
The InChIKey is CZXFHBVOTVOUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O4/c31-29(37)27-2-1-17-34(27)25-13-5-21(6-14-25)28(36)20-3-9-23(10-4-20)32-30(38)22-7-11-24(12-8-22)33-18-15-26(35)16-19-33/h1-14,17,26,35H,15-16,18-19H2,(H2,31,37)(H,32,38).
What are the key properties of 1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyrrole-2-carboxamide?
1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyrrole-2-carboxamide has a molecular weight of 508.58 g/mol, XLogP of 4.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 175279921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).