1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide

C29H32N4O — CID 10623524

IUPAC1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide
SMILESO=C(NCCN1CCN(Cc2ccccc2)CC1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C29H32N4O/c34-29(30-15-16-31-17-19-32(20-18-31)21-24-9-3-1-4-10-24)27-23-33(22-25-11-5-2-6-12-25)28-14-8-7-13-26(27)28/h1-14,23H,15-22H2,(H,30,34)
InChIKeyPSIQSAAKPHCAAN-UHFFFAOYSA-N
MW452.60 g/mol
LogP4.24
Rot. Bonds8

About 1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide

1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide (PubChem CID 10623524) has the molecular formula C29H32N4O and a molecular weight of 452.60 g/mol. Its IUPAC name is 1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide
PubChem CID10623524
Molecular FormulaC29H32N4O
Molecular Weight452.60 g/mol
Exact Mass452.26
IUPAC Name1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide
SMILESO=C(NCCN1CCN(Cc2ccccc2)CC1)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C29H32N4O/c34-29(30-15-16-31-17-19-32(20-18-31)21-24-9-3-1-4-10-24)27-23-33(22-25-11-5-2-6-12-25)28-14-8-7-13-26(27)28/h1-14,23H,15-22H2,(H,30,34)
InChIKeyPSIQSAAKPHCAAN-UHFFFAOYSA-N
XLogP4.24
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10547563
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide
CID 14762566
1-benzyl-N-prop-2-ynylindole-3-carboxamide
CID 32985636
1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide
CID 174999219
1-benzyl-N-(2-pyridin-2-ylethyl)indole-3-carboxamide
CID 31941346
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 39984765
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-prop-2-enylindazole-3-carboxamide
CID 18695482
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 39985361
1-(4-benzylpiperazin-1-yl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]ethane-1,2-dione
CID 110173159
N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-bromo-2-fluorobenzamide
CID 39301758

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide (CID 10623524) is 1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide is O=C(NCCN1CCN(Cc2ccccc2)CC1)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide?
The InChIKey is PSIQSAAKPHCAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O/c34-29(30-15-16-31-17-19-32(20-18-31)21-24-9-3-1-4-10-24)27-23-33(22-25-11-5-2-6-12-25)28-14-8-7-13-26(27)28/h1-14,23H,15-22H2,(H,30,34).
What are the key properties of 1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide?
1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide has a molecular weight of 452.60 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide is sourced from PubChem (CID 10623524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).