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

C23H28N4O2 — CID 73438500

IUPACN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C23H28N4O2/c1-29-22-6-3-2-5-21(22)27-15-13-26(14-16-27)12-4-10-25-23(28)19-7-8-20-18(17-19)9-11-24-20/h2-3,5-9,11,17,24H,4,10,12-16H2,1H3,(H,25,28)
InChIKeyYMVCKDVKXIOJRK-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.12
Rot. Bonds7

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

N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide (PubChem CID 73438500) 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-5-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide
PubChem CID73438500
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C23H28N4O2/c1-29-22-6-3-2-5-21(22)27-15-13-26(14-16-27)12-4-10-25-23(28)19-7-8-20-18(17-19)9-11-24-20/h2-3,5-9,11,17,24H,4,10,12-16H2,1H3,(H,25,28)
InChIKeyYMVCKDVKXIOJRK-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-5-carboxamide?
The IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide (CID 73438500) is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide is COc1ccccc1N1CCN(CCCNC(=O)c2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide?
The InChIKey is YMVCKDVKXIOJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-29-22-6-3-2-5-21(22)27-15-13-26(14-16-27)12-4-10-25-23(28)19-7-8-20-18(17-19)9-11-24-20/h2-3,5-9,11,17,24H,4,10,12-16H2,1H3,(H,25,28).
What are the key properties of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-5-carboxamide?
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indole-5-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-5-carboxamide is sourced from PubChem (CID 73438500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).