N-[(2R)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide

C24H32N4O3 — CID 38393886

IUPACN-[(2R)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C24H32N4O3/c1-17(29)26-22(15-19-16-25-21-9-5-4-8-20(19)21)24(31)28-12-10-27(11-13-28)23(30)14-18-6-2-3-7-18/h4-5,8-9,16,18,22,25H,2-3,6-7,10-15H2,1H3,(H,26,29)/t22-/m1/s1
InChIKeyJSSTUIITKRGUBW-JOCHJYFZSA-N
MW424.55 g/mol
LogP2.47
Rot. Bonds6

About N-[(2R)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide

N-[(2R)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide (PubChem CID 38393886) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[(2R)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
PubChem CID38393886
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-[(2R)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)CC2CCCC2)CC1
InChIInChI=1S/C24H32N4O3/c1-17(29)26-22(15-19-16-25-21-9-5-4-8-20(19)21)24(31)28-12-10-27(11-13-28)23(30)14-18-6-2-3-7-18/h4-5,8-9,16,18,22,25H,2-3,6-7,10-15H2,1H3,(H,26,29)/t22-/m1/s1
InChIKeyJSSTUIITKRGUBW-JOCHJYFZSA-N
XLogP2.47
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide
CID 55981658
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 35807048
N-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 55586725
N-[3-(1H-indol-3-yl)-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647922
N-[(2S)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 33118486
2-[(2S)-4-[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]morpholin-2-yl]acetic acid
CID 125120058
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
CID 42698643
N-[1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647817
(2-oxo-2-piperidin-1-ylethyl) (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
CID 55936422
N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 112843422
N-[(2S)-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 37017427
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide
CID 110286392

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide (CID 38393886) is N-[(2R)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide is CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)CC2CCCC2)CC1.
What is the InChIKey of N-[(2R)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide?
The InChIKey is JSSTUIITKRGUBW-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-17(29)26-22(15-19-16-25-21-9-5-4-8-20(19)21)24(31)28-12-10-27(11-13-28)23(30)14-18-6-2-3-7-18/h4-5,8-9,16,18,22,25H,2-3,6-7,10-15H2,1H3,(H,26,29)/t22-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide?
N-[(2R)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide has a molecular weight of 424.55 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 38393886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).