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

C23H28N4O2 — CID 15124081

IUPACN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H28N4O2/c1-29-22-10-5-4-9-21(22)27-15-13-26(14-16-27)12-6-11-24-23(28)20-17-18-7-2-3-8-19(18)25-20/h2-5,7-10,17,25H,6,11-16H2,1H3,(H,24,28)
InChIKeyZHRPZWACSATVPO-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.12
Rot. Bonds7

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

N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide (PubChem CID 15124081) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide
PubChem CID15124081
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H28N4O2/c1-29-22-10-5-4-9-21(22)27-15-13-26(14-16-27)12-6-11-24-23(28)20-17-18-7-2-3-8-19(18)25-20/h2-5,7-10,17,25H,6,11-16H2,1H3,(H,24,28)
InChIKeyZHRPZWACSATVPO-UHFFFAOYSA-N
XLogP3.12
TPSA60.60 Ų
H-Bond Donors2
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 ≤ 52
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 N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide (CID 15124081) is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide is COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide?
The InChIKey is ZHRPZWACSATVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-29-22-10-5-4-9-21(22)27-15-13-26(14-16-27)12-6-11-24-23(28)20-17-18-7-2-3-8-19(18)25-20/h2-5,7-10,17,25H,6,11-16H2,1H3,(H,24,28).
What are the key properties of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide?
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 15124081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).