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

C30H34N4O2 — CID 118733023

IUPAC1-benzyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2cc3ccccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C30H34N4O2/c1-36-29-15-8-7-14-27(29)33-20-18-32(19-21-33)17-9-16-31-30(35)28-22-25-12-5-6-13-26(25)34(28)23-24-10-3-2-4-11-24/h2-8,10-15,22H,9,16-21,23H2,1H3,(H,31,35)
InChIKeyMXBCYDNSCFOPAO-UHFFFAOYSA-N
MW482.63 g/mol
LogP4.64
Rot. Bonds9

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

1-benzyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-2-carboxamide (PubChem CID 118733023) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 1-benzyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-2-carboxamide
PubChem CID118733023
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC Name1-benzyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCCNC(=O)c2cc3ccccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C30H34N4O2/c1-36-29-15-8-7-14-27(29)33-20-18-32(19-21-33)17-9-16-31-30(35)28-22-25-12-5-6-13-26(25)34(28)23-24-10-3-2-4-11-24/h2-8,10-15,22H,9,16-21,23H2,1H3,(H,31,35)
InChIKeyMXBCYDNSCFOPAO-UHFFFAOYSA-N
XLogP4.64
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 54.64
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 1-benzyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-2-carboxamide (CID 118733023) is 1-benzyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-2-carboxamide is COc1ccccc1N1CCN(CCCNC(=O)c2cc3ccccc3n2Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-2-carboxamide?
The InChIKey is MXBCYDNSCFOPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-36-29-15-8-7-14-27(29)33-20-18-32(19-21-33)17-9-16-31-30(35)28-22-25-12-5-6-13-26(25)34(28)23-24-10-3-2-4-11-24/h2-8,10-15,22H,9,16-21,23H2,1H3,(H,31,35).
What are the key properties of 1-benzyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-2-carboxamide?
1-benzyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-2-carboxamide has a molecular weight of 482.63 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-2-carboxamide is sourced from PubChem (CID 118733023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).