4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[2-(2-methyl-1H-indol-5-yl)acetyl]phenyl]indol-5-yl]benzamide

C37H34N4O3 — CID 161074265

IUPAC4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[2-(2-methyl-1H-indol-5-yl)acetyl]phenyl]indol-5-yl]benzamide
SMILESCc1cc2cc(CC(=O)c3ccc(-n4ccc5cc(NC(=O)c6ccc(N7CCC(O)CC7)cc6)ccc54)cc3)ccc2[nH]1
InChIInChI=1S/C37H34N4O3/c1-24-20-29-21-25(2-12-34(29)38-24)22-36(43)26-3-10-32(11-4-26)41-19-14-28-23-30(7-13-35(28)41)39-37(44)27-5-8-31(9-6-27)40-17-15-33(42)16-18-40/h2-14,19-21,23,33,38,42H,15-18,22H2,1H3,(H,39,44)
InChIKeyUFBBZUYSMILZSP-UHFFFAOYSA-N
MW582.70 g/mol
LogP7.06
Rot. Bonds7

About 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[2-(2-methyl-1H-indol-5-yl)acetyl]phenyl]indol-5-yl]benzamide

4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[2-(2-methyl-1H-indol-5-yl)acetyl]phenyl]indol-5-yl]benzamide (PubChem CID 161074265) has the molecular formula C37H34N4O3 and a molecular weight of 582.70 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[2-(2-methyl-1H-indol-5-yl)acetyl]phenyl]indol-5-yl]benzamide.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[2-(2-methyl-1H-indol-5-yl)acetyl]phenyl]indol-5-yl]benzamide
PubChem CID161074265
Molecular FormulaC37H34N4O3
Molecular Weight582.70 g/mol
Exact Mass582.26
IUPAC Name4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[2-(2-methyl-1H-indol-5-yl)acetyl]phenyl]indol-5-yl]benzamide
SMILESCc1cc2cc(CC(=O)c3ccc(-n4ccc5cc(NC(=O)c6ccc(N7CCC(O)CC7)cc6)ccc54)cc3)ccc2[nH]1
InChIInChI=1S/C37H34N4O3/c1-24-20-29-21-25(2-12-34(29)38-24)22-36(43)26-3-10-32(11-4-26)41-19-14-28-23-30(7-13-35(28)41)39-37(44)27-5-8-31(9-6-27)40-17-15-33(42)16-18-40/h2-14,19-21,23,33,38,42H,15-18,22H2,1H3,(H,39,44)
InChIKeyUFBBZUYSMILZSP-UHFFFAOYSA-N
XLogP7.06
TPSA90.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.70
LogP ≤ 57.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indol-1-yl]phenyl]-N-methyl-1H-indole-5-carboxamide
CID 123599357
4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]indol-5-yl]benzamide
CID 86674028
methyl 2-[[2-[5-[[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indol-1-yl]benzoyl]amino]indol-1-yl]acetyl]amino]acetate
CID 67114159
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-indol-1-ylphenyl)indazol-5-yl]benzamide
CID 141334501
1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]indole-6-carboxamide
CID 174703326
N-[1-[4-(3-cyclopropylpropanoyl)phenyl]indazol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 147606537
N-[1-[4-(cyclopropylcarbamoyl)phenyl]-2-methylindol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67113301
carbon dioxide;2-[4-[4-[2-(1,5-dimethylpyrrol-3-yl)-2-oxoethyl]anilino]phenyl]-1-[4-(4-hydroxypiperidin-1-yl)phenyl]ethanone
CID 159874509
1-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-[4-[4-[2-oxo-2-(1H-pyrrol-3-yl)ethyl]anilino]phenyl]ethanone
CID 152957674
4-(4-hydroxypiperidin-1-yl)-N-(4-methoxy-3-methylphenyl)benzamide
CID 111331962
N-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide
CID 86930444

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[2-(2-methyl-1H-indol-5-yl)acetyl]phenyl]indol-5-yl]benzamide?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[2-(2-methyl-1H-indol-5-yl)acetyl]phenyl]indol-5-yl]benzamide (CID 161074265) is 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[2-(2-methyl-1H-indol-5-yl)acetyl]phenyl]indol-5-yl]benzamide.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[2-(2-methyl-1H-indol-5-yl)acetyl]phenyl]indol-5-yl]benzamide?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[2-(2-methyl-1H-indol-5-yl)acetyl]phenyl]indol-5-yl]benzamide is Cc1cc2cc(CC(=O)c3ccc(-n4ccc5cc(NC(=O)c6ccc(N7CCC(O)CC7)cc6)ccc54)cc3)ccc2[nH]1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[2-(2-methyl-1H-indol-5-yl)acetyl]phenyl]indol-5-yl]benzamide?
The InChIKey is UFBBZUYSMILZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N4O3/c1-24-20-29-21-25(2-12-34(29)38-24)22-36(43)26-3-10-32(11-4-26)41-19-14-28-23-30(7-13-35(28)41)39-37(44)27-5-8-31(9-6-27)40-17-15-33(42)16-18-40/h2-14,19-21,23,33,38,42H,15-18,22H2,1H3,(H,39,44).
What are the key properties of 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[2-(2-methyl-1H-indol-5-yl)acetyl]phenyl]indol-5-yl]benzamide?
4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[2-(2-methyl-1H-indol-5-yl)acetyl]phenyl]indol-5-yl]benzamide has a molecular weight of 582.70 g/mol, XLogP of 7.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)-N-[1-[4-[2-(2-methyl-1H-indol-5-yl)acetyl]phenyl]indol-5-yl]benzamide is sourced from PubChem (CID 161074265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).