5-hydroxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide

C23H28N4O3 — CID 73437675

IUPAC5-hydroxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2cc3cc(O)ccc3[nH]2)CC1
InChIInChI=1S/C23H28N4O3/c1-30-22-6-3-2-5-21(22)27-13-11-26(12-14-27)10-4-9-24-23(29)20-16-17-15-18(28)7-8-19(17)25-20/h2-3,5-8,15-16,25,28H,4,9-14H2,1H3,(H,24,29)
InChIKeyGVRSOZBKXDJGAJ-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.82
Rot. Bonds7

About 5-hydroxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide

5-hydroxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide (PubChem CID 73437675) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 5-hydroxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide
PubChem CID73437675
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name5-hydroxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2cc3cc(O)ccc3[nH]2)CC1
InChIInChI=1S/C23H28N4O3/c1-30-22-6-3-2-5-21(22)27-13-11-26(12-14-27)10-4-9-24-23(29)20-16-17-15-18(28)7-8-19(17)25-20/h2-3,5-8,15-16,25,28H,4,9-14H2,1H3,(H,24,29)
InChIKeyGVRSOZBKXDJGAJ-UHFFFAOYSA-N
XLogP2.82
TPSA80.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 5-hydroxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-hydroxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide (CID 73437675) is 5-hydroxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-hydroxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide is COc1ccccc1N1CCN(CCCNC(=O)c2cc3cc(O)ccc3[nH]2)CC1.
What is the InChIKey of 5-hydroxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide?
The InChIKey is GVRSOZBKXDJGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-30-22-6-3-2-5-21(22)27-13-11-26(12-14-27)10-4-9-24-23(29)20-16-17-15-18(28)7-8-19(17)25-20/h2-3,5-8,15-16,25,28H,4,9-14H2,1H3,(H,24,29).
What are the key properties of 5-hydroxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide?
5-hydroxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 73437675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).