2-[4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-N-phenylacetamide

C30H32N4O3 — CID 34433425

IUPAC2-[4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-N-phenylacetamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C30H32N4O3/c1-37-24-13-11-22(12-14-24)30-26(25-9-5-6-10-27(25)32-30)15-16-29(36)34-19-17-33(18-20-34)21-28(35)31-23-7-3-2-4-8-23/h2-14,32H,15-21H2,1H3,(H,31,35)
InChIKeyAYOBLNQWODNRFO-UHFFFAOYSA-N
MW496.61 g/mol
LogP4.56
Rot. Bonds8

About 2-[4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-N-phenylacetamide

2-[4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 34433425) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 2-[4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID34433425
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC Name2-[4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-N-phenylacetamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C30H32N4O3/c1-37-24-13-11-22(12-14-24)30-26(25-9-5-6-10-27(25)32-30)15-16-29(36)34-19-17-33(18-20-34)21-28(35)31-23-7-3-2-4-8-23/h2-14,32H,15-21H2,1H3,(H,31,35)
InChIKeyAYOBLNQWODNRFO-UHFFFAOYSA-N
XLogP4.56
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 47088568
1-(3,5-dimethylpiperidin-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one
CID 85458363
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 55490748
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 55415175
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1-[(4S)-4-methylazepan-1-yl]propan-1-one
CID 52537504
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 112798004
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-1-one
CID 18275748
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide
CID 9076803
4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]morpholine-2-carboxamide
CID 49418941
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(2-methylpropyl)propanamide
CID 17463237
3-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanoic acid
CID 119237348
ethyl N-[2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]ethyl]carbamate
CID 56558488

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-N-phenylacetamide (CID 34433425) is 2-[4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-N-phenylacetamide is COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is AYOBLNQWODNRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-37-24-13-11-22(12-14-24)30-26(25-9-5-6-10-27(25)32-30)15-16-29(36)34-19-17-33(18-20-34)21-28(35)31-23-7-3-2-4-8-23/h2-14,32H,15-21H2,1H3,(H,31,35).
What are the key properties of 2-[4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 496.61 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 34433425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).