3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide

C23H28N4O2 — CID 11429291

IUPAC3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccc(O)cc4)CC3)c2c1
InChIInChI=1S/C23H28N4O2/c24-23(29)17-4-9-22-21(15-17)18(16-25-22)3-1-2-10-26-11-13-27(14-12-26)19-5-7-20(28)8-6-19/h4-9,15-16,25,28H,1-3,10-14H2,(H2,24,29)
InChIKeyVXYWRBIWAVBFCQ-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.12
Rot. Bonds7

About 3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide

3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide (PubChem CID 11429291) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide
PubChem CID11429291
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccc(O)cc4)CC3)c2c1
InChIInChI=1S/C23H28N4O2/c24-23(29)17-4-9-22-21(15-17)18(16-25-22)3-1-2-10-26-11-13-27(14-12-26)19-5-7-20(28)8-6-19/h4-9,15-16,25,28H,1-3,10-14H2,(H2,24,29)
InChIKeyVXYWRBIWAVBFCQ-UHFFFAOYSA-N
XLogP3.12
TPSA85.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
The IUPAC name of 3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide (CID 11429291) is 3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
The canonical SMILES for 3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide is NC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccc(O)cc4)CC3)c2c1.
What is the InChIKey of 3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
The InChIKey is VXYWRBIWAVBFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c24-23(29)17-4-9-22-21(15-17)18(16-25-22)3-1-2-10-26-11-13-27(14-12-26)19-5-7-20(28)8-6-19/h4-9,15-16,25,28H,1-3,10-14H2,(H2,24,29).
What are the key properties of 3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide?
3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 11429291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).