4-(4-cyanophenyl)-N-[1-[2-[4-[1-(2-hydroxyethyl)indol-3-yl]piperidin-1-yl]ethyl]piperidin-4-yl]benzamide

C36H41N5O2 — CID 44532951

IUPAC4-(4-cyanophenyl)-N-[1-[2-[4-[1-(2-hydroxyethyl)indol-3-yl]piperidin-1-yl]ethyl]piperidin-4-yl]benzamide
SMILESN#Cc1ccc(-c2ccc(C(=O)NC3CCN(CCN4CCC(c5cn(CCO)c6ccccc56)CC4)CC3)cc2)cc1
InChIInChI=1S/C36H41N5O2/c37-25-27-5-7-28(8-6-27)29-9-11-31(12-10-29)36(43)38-32-15-19-40(20-16-32)22-21-39-17-13-30(14-18-39)34-26-41(23-24-42)35-4-2-1-3-33(34)35/h1-12,26,30,32,42H,13-24H2,(H,38,43)
InChIKeyUHIICTFGVYATSV-UHFFFAOYSA-N
MW575.76 g/mol
LogP5.25
Rot. Bonds9

About 4-(4-cyanophenyl)-N-[1-[2-[4-[1-(2-hydroxyethyl)indol-3-yl]piperidin-1-yl]ethyl]piperidin-4-yl]benzamide

4-(4-cyanophenyl)-N-[1-[2-[4-[1-(2-hydroxyethyl)indol-3-yl]piperidin-1-yl]ethyl]piperidin-4-yl]benzamide (PubChem CID 44532951) has the molecular formula C36H41N5O2 and a molecular weight of 575.76 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-N-[1-[2-[4-[1-(2-hydroxyethyl)indol-3-yl]piperidin-1-yl]ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-N-[1-[2-[4-[1-(2-hydroxyethyl)indol-3-yl]piperidin-1-yl]ethyl]piperidin-4-yl]benzamide
PubChem CID44532951
Molecular FormulaC36H41N5O2
Molecular Weight575.76 g/mol
Exact Mass575.33
IUPAC Name4-(4-cyanophenyl)-N-[1-[2-[4-[1-(2-hydroxyethyl)indol-3-yl]piperidin-1-yl]ethyl]piperidin-4-yl]benzamide
SMILESN#Cc1ccc(-c2ccc(C(=O)NC3CCN(CCN4CCC(c5cn(CCO)c6ccccc56)CC4)CC3)cc2)cc1
InChIInChI=1S/C36H41N5O2/c37-25-27-5-7-28(8-6-27)29-9-11-31(12-10-29)36(43)38-32-15-19-40(20-16-32)22-21-39-17-13-30(14-18-39)34-26-41(23-24-42)35-4-2-1-3-33(34)35/h1-12,26,30,32,42H,13-24H2,(H,38,43)
InChIKeyUHIICTFGVYATSV-UHFFFAOYSA-N
XLogP5.25
TPSA84.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.76
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-N-[1-[2-[4-[1-(2-hydroxyethyl)indol-3-yl]piperidin-1-yl]ethyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-(4-cyanophenyl)-N-[1-[2-[4-[1-(2-hydroxyethyl)indol-3-yl]piperidin-1-yl]ethyl]piperidin-4-yl]benzamide (CID 44532951) is 4-(4-cyanophenyl)-N-[1-[2-[4-[1-(2-hydroxyethyl)indol-3-yl]piperidin-1-yl]ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-(4-cyanophenyl)-N-[1-[2-[4-[1-(2-hydroxyethyl)indol-3-yl]piperidin-1-yl]ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-(4-cyanophenyl)-N-[1-[2-[4-[1-(2-hydroxyethyl)indol-3-yl]piperidin-1-yl]ethyl]piperidin-4-yl]benzamide is N#Cc1ccc(-c2ccc(C(=O)NC3CCN(CCN4CCC(c5cn(CCO)c6ccccc56)CC4)CC3)cc2)cc1.
What is the InChIKey of 4-(4-cyanophenyl)-N-[1-[2-[4-[1-(2-hydroxyethyl)indol-3-yl]piperidin-1-yl]ethyl]piperidin-4-yl]benzamide?
The InChIKey is UHIICTFGVYATSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N5O2/c37-25-27-5-7-28(8-6-27)29-9-11-31(12-10-29)36(43)38-32-15-19-40(20-16-32)22-21-39-17-13-30(14-18-39)34-26-41(23-24-42)35-4-2-1-3-33(34)35/h1-12,26,30,32,42H,13-24H2,(H,38,43).
What are the key properties of 4-(4-cyanophenyl)-N-[1-[2-[4-[1-(2-hydroxyethyl)indol-3-yl]piperidin-1-yl]ethyl]piperidin-4-yl]benzamide?
4-(4-cyanophenyl)-N-[1-[2-[4-[1-(2-hydroxyethyl)indol-3-yl]piperidin-1-yl]ethyl]piperidin-4-yl]benzamide has a molecular weight of 575.76 g/mol, XLogP of 5.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-N-[1-[2-[4-[1-(2-hydroxyethyl)indol-3-yl]piperidin-1-yl]ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 44532951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).