1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]indole-6-carboxamide

C33H31N5O3 — CID 174703326

IUPAC1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]indole-6-carboxamide
SMILESNC(=O)c1ccc2ccn(-c3ccc(Nc4ccc(NC(=O)c5ccc(N6CCC(O)CC6)cc5)cc4)cc3)c2c1
InChIInChI=1S/C33H31N5O3/c34-32(40)24-2-1-22-15-20-38(31(22)21-24)29-13-9-26(10-14-29)35-25-5-7-27(8-6-25)36-33(41)23-3-11-28(12-4-23)37-18-16-30(39)17-19-37/h1-15,20-21,30,35,39H,16-19H2,(H2,34,40)(H,36,41)
InChIKeyJWWLSPURNHCCRM-UHFFFAOYSA-N
MW545.64 g/mol
LogP5.69
Rot. Bonds7

About 1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]indole-6-carboxamide

1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]indole-6-carboxamide (PubChem CID 174703326) has the molecular formula C33H31N5O3 and a molecular weight of 545.64 g/mol. Its IUPAC name is 1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]indole-6-carboxamide
PubChem CID174703326
Molecular FormulaC33H31N5O3
Molecular Weight545.64 g/mol
Exact Mass545.24
IUPAC Name1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]indole-6-carboxamide
SMILESNC(=O)c1ccc2ccn(-c3ccc(Nc4ccc(NC(=O)c5ccc(N6CCC(O)CC6)cc5)cc4)cc3)c2c1
InChIInChI=1S/C33H31N5O3/c34-32(40)24-2-1-22-15-20-38(31(22)21-24)29-13-9-26(10-14-29)35-25-5-7-27(8-6-25)36-33(41)23-3-11-28(12-4-23)37-18-16-30(39)17-19-37/h1-15,20-21,30,35,39H,16-19H2,(H2,34,40)(H,36,41)
InChIKeyJWWLSPURNHCCRM-UHFFFAOYSA-N
XLogP5.69
TPSA112.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.64
LogP ≤ 55.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-aminoanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67112995
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-1H-pyrrole-3-carboxamide
CID 67114265
4-(4-hydroxypiperidin-1-yl)-N-[1-(4-indol-1-ylphenyl)indazol-5-yl]benzamide
CID 141334501
1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyrrole-2-carboxamide
CID 175279921
N-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331512
N-[4-[2-chloro-4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67114493
N-[1-[2-(cyanomethylamino)-2-oxoethyl]indol-5-yl]-4-[5-[4-(4-hydroxypiperidin-1-yl)anilino]indol-1-yl]benzamide
CID 87274240
4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]indol-5-yl]benzamide
CID 86674028
N-[4-(4-amino-2-fluoroanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67112608
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]anilino]phenyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
CID 67114188
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 67114185

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]indole-6-carboxamide?
The IUPAC name of 1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]indole-6-carboxamide (CID 174703326) is 1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]indole-6-carboxamide.
What is the SMILES notation for 1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]indole-6-carboxamide?
The canonical SMILES for 1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]indole-6-carboxamide is NC(=O)c1ccc2ccn(-c3ccc(Nc4ccc(NC(=O)c5ccc(N6CCC(O)CC6)cc5)cc4)cc3)c2c1.
What is the InChIKey of 1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]indole-6-carboxamide?
The InChIKey is JWWLSPURNHCCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N5O3/c34-32(40)24-2-1-22-15-20-38(31(22)21-24)29-13-9-26(10-14-29)35-25-5-7-27(8-6-25)36-33(41)23-3-11-28(12-4-23)37-18-16-30(39)17-19-37/h1-15,20-21,30,35,39H,16-19H2,(H2,34,40)(H,36,41).
What are the key properties of 1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]indole-6-carboxamide?
1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]indole-6-carboxamide has a molecular weight of 545.64 g/mol, XLogP of 5.69, 7 rotatable bonds, 4 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]anilino]phenyl]indole-6-carboxamide is sourced from PubChem (CID 174703326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).