N-(2-benzamidoethyl)-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide

C24H27N5O3 — CID 55923111

IUPACN-(2-benzamidoethyl)-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide
SMILESO=C(NCCNC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C24H27N5O3/c30-22(16-19-17-27-21-9-5-4-8-20(19)21)28-12-14-29(15-13-28)24(32)26-11-10-25-23(31)18-6-2-1-3-7-18/h1-9,17,27H,10-16H2,(H,25,31)(H,26,32)
InChIKeyFJGWEWTYYSRIGP-UHFFFAOYSA-N
MW433.51 g/mol
LogP1.99
Rot. Bonds6

About N-(2-benzamidoethyl)-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide

N-(2-benzamidoethyl)-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide (PubChem CID 55923111) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide
PubChem CID55923111
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-(2-benzamidoethyl)-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide
SMILESO=C(NCCNC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C24H27N5O3/c30-22(16-19-17-27-21-9-5-4-8-20(19)21)28-12-14-29(15-13-28)24(32)26-11-10-25-23(31)18-6-2-1-3-7-18/h1-9,17,27H,10-16H2,(H,25,31)(H,26,32)
InChIKeyFJGWEWTYYSRIGP-UHFFFAOYSA-N
XLogP1.99
TPSA97.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide
CID 47065618
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
3-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 110398604
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 26933063
N-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55860352
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
2-(1H-indol-3-yl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 47083014
N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 60502687
4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 56511461
2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073681

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-benzamidoethyl)-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide (CID 55923111) is N-(2-benzamidoethyl)-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-benzamidoethyl)-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-benzamidoethyl)-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide is O=C(NCCNC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)c1ccccc1.
What is the InChIKey of N-(2-benzamidoethyl)-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide?
The InChIKey is FJGWEWTYYSRIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c30-22(16-19-17-27-21-9-5-4-8-20(19)21)28-12-14-29(15-13-28)24(32)26-11-10-25-23(31)18-6-2-1-3-7-18/h1-9,17,27H,10-16H2,(H,25,31)(H,26,32).
What are the key properties of N-(2-benzamidoethyl)-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide?
N-(2-benzamidoethyl)-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide is sourced from PubChem (CID 55923111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).