4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[(1-methylindol-5-yl)carbamoyl]phenyl]indol-5-yl]benzamide

C36H33N5O3 — CID 67112943

IUPAC4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[(1-methylindol-5-yl)carbamoyl]phenyl]indol-5-yl]benzamide
SMILESCn1ccc2cc(NC(=O)c3ccc(-n4ccc5cc(NC(=O)c6ccc(N7CCC(O)CC7)cc6)ccc54)cc3)ccc21
InChIInChI=1S/C36H33N5O3/c1-39-18-14-26-22-28(6-12-33(26)39)37-36(44)25-4-10-31(11-5-25)41-21-15-27-23-29(7-13-34(27)41)38-35(43)24-2-8-30(9-3-24)40-19-16-32(42)17-20-40/h2-15,18,21-23,32,42H,16-17,19-20H2,1H3,(H,37,44)(H,38,43)
InChIKeyLHTMLEYENSPIAA-UHFFFAOYSA-N
MW583.69 g/mol
LogP6.59
Rot. Bonds6

About 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[(1-methylindol-5-yl)carbamoyl]phenyl]indol-5-yl]benzamide

4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[(1-methylindol-5-yl)carbamoyl]phenyl]indol-5-yl]benzamide (PubChem CID 67112943) has the molecular formula C36H33N5O3 and a molecular weight of 583.69 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[(1-methylindol-5-yl)carbamoyl]phenyl]indol-5-yl]benzamide.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[(1-methylindol-5-yl)carbamoyl]phenyl]indol-5-yl]benzamide
PubChem CID67112943
Molecular FormulaC36H33N5O3
Molecular Weight583.69 g/mol
Exact Mass583.26
IUPAC Name4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[(1-methylindol-5-yl)carbamoyl]phenyl]indol-5-yl]benzamide
SMILESCn1ccc2cc(NC(=O)c3ccc(-n4ccc5cc(NC(=O)c6ccc(N7CCC(O)CC7)cc6)ccc54)cc3)ccc21
InChIInChI=1S/C36H33N5O3/c1-39-18-14-26-22-28(6-12-33(26)39)37-36(44)25-4-10-31(11-5-25)41-21-15-27-23-29(7-13-34(27)41)38-35(43)24-2-8-30(9-3-24)40-19-16-32(42)17-20-40/h2-15,18,21-23,32,42H,16-17,19-20H2,1H3,(H,37,44)(H,38,43)
InChIKeyLHTMLEYENSPIAA-UHFFFAOYSA-N
XLogP6.59
TPSA91.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.69
LogP ≤ 56.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[(1-methylindol-5-yl)carbamoyl]phenyl]indol-5-yl]benzamide?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[(1-methylindol-5-yl)carbamoyl]phenyl]indol-5-yl]benzamide (CID 67112943) is 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[(1-methylindol-5-yl)carbamoyl]phenyl]indol-5-yl]benzamide.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[(1-methylindol-5-yl)carbamoyl]phenyl]indol-5-yl]benzamide?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[(1-methylindol-5-yl)carbamoyl]phenyl]indol-5-yl]benzamide is Cn1ccc2cc(NC(=O)c3ccc(-n4ccc5cc(NC(=O)c6ccc(N7CCC(O)CC7)cc6)ccc54)cc3)ccc21.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[(1-methylindol-5-yl)carbamoyl]phenyl]indol-5-yl]benzamide?
The InChIKey is LHTMLEYENSPIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N5O3/c1-39-18-14-26-22-28(6-12-33(26)39)37-36(44)25-4-10-31(11-5-25)41-21-15-27-23-29(7-13-34(27)41)38-35(43)24-2-8-30(9-3-24)40-19-16-32(42)17-20-40/h2-15,18,21-23,32,42H,16-17,19-20H2,1H3,(H,37,44)(H,38,43).
What are the key properties of 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[(1-methylindol-5-yl)carbamoyl]phenyl]indol-5-yl]benzamide?
4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[(1-methylindol-5-yl)carbamoyl]phenyl]indol-5-yl]benzamide has a molecular weight of 583.69 g/mol, XLogP of 6.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[(1-methylindol-5-yl)carbamoyl]phenyl]indol-5-yl]benzamide is sourced from PubChem (CID 67112943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).