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

C24H30N4O2 — CID 73437677

IUPACN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-methylindole-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2cn(C)c3ccccc23)CC1
InChIInChI=1S/C24H30N4O2/c1-26-18-20(19-8-3-4-9-21(19)26)24(29)25-12-7-13-27-14-16-28(17-15-27)22-10-5-6-11-23(22)30-2/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,25,29)
InChIKeyZAQWTEPNQWYHIK-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.13
Rot. Bonds7

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

N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-methylindole-3-carboxamide (PubChem CID 73437677) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-methylindole-3-carboxamide
PubChem CID73437677
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-methylindole-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2cn(C)c3ccccc23)CC1
InChIInChI=1S/C24H30N4O2/c1-26-18-20(19-8-3-4-9-21(19)26)24(29)25-12-7-13-27-14-16-28(17-15-27)22-10-5-6-11-23(22)30-2/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,25,29)
InChIKeyZAQWTEPNQWYHIK-UHFFFAOYSA-N
XLogP3.13
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.13
H-Bond Donors ≤ 51
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 N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-methylindole-3-carboxamide (CID 73437677) is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-methylindole-3-carboxamide is COc1ccccc1N1CCN(CCCNC(=O)c2cn(C)c3ccccc23)CC1.
What is the InChIKey of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-methylindole-3-carboxamide?
The InChIKey is ZAQWTEPNQWYHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-26-18-20(19-8-3-4-9-21(19)26)24(29)25-12-7-13-27-14-16-28(17-15-27)22-10-5-6-11-23(22)30-2/h3-6,8-11,18H,7,12-17H2,1-2H3,(H,25,29).
What are the key properties of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-methylindole-3-carboxamide?
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-methylindole-3-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 73437677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).