4-[4-(1H-indol-3-yl)butanoyl]-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperazine-1-carboxamide

C23H28N6O3S — CID 45370840

IUPAC4-[4-(1H-indol-3-yl)butanoyl]-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1)C(=O)Nc1nccs1
InChIInChI=1S/C23H28N6O3S/c1-16(21(31)27-22-24-9-14-33-22)26-23(32)29-12-10-28(11-13-29)20(30)8-4-5-17-15-25-19-7-3-2-6-18(17)19/h2-3,6-7,9,14-16,25H,4-5,8,10-13H2,1H3,(H,26,32)(H,24,27,31)
InChIKeyGRLZNOBKLBJHBF-UHFFFAOYSA-N
MW468.58 g/mol
LogP2.83
Rot. Bonds7

About 4-[4-(1H-indol-3-yl)butanoyl]-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperazine-1-carboxamide

4-[4-(1H-indol-3-yl)butanoyl]-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperazine-1-carboxamide (PubChem CID 45370840) has the molecular formula C23H28N6O3S and a molecular weight of 468.58 g/mol. Its IUPAC name is 4-[4-(1H-indol-3-yl)butanoyl]-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(1H-indol-3-yl)butanoyl]-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperazine-1-carboxamide
PubChem CID45370840
Molecular FormulaC23H28N6O3S
Molecular Weight468.58 g/mol
Exact Mass468.19
IUPAC Name4-[4-(1H-indol-3-yl)butanoyl]-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1)C(=O)Nc1nccs1
InChIInChI=1S/C23H28N6O3S/c1-16(21(31)27-22-24-9-14-33-22)26-23(32)29-12-10-28(11-13-29)20(30)8-4-5-17-15-25-19-7-3-2-6-18(17)19/h2-3,6-7,9,14-16,25H,4-5,8,10-13H2,1H3,(H,26,32)(H,24,27,31)
InChIKeyGRLZNOBKLBJHBF-UHFFFAOYSA-N
XLogP2.83
TPSA110.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[4-(1H-indol-3-yl)butanoyl]-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(1H-indol-3-yl)butanoyl]-N-[1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 73257844
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
3-(1H-indol-3-yl)-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110114301
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one
CID 47051691
N-(2,6-dimethylphenyl)-2-[4-[4-(1H-indol-3-yl)butanoyl]piperazin-1-yl]acetamide
CID 46655104
4-(1H-indol-3-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one
CID 16582857
4-(1H-indol-3-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]butan-1-one
CID 27040696
1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 32530640
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229
4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103536932
1-[(2S)-2,4-dimethylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 97093757

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indol-3-yl)butanoyl]-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-[4-(1H-indol-3-yl)butanoyl]-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperazine-1-carboxamide (CID 45370840) is 4-[4-(1H-indol-3-yl)butanoyl]-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(1H-indol-3-yl)butanoyl]-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-[4-(1H-indol-3-yl)butanoyl]-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperazine-1-carboxamide is CC(NC(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1)C(=O)Nc1nccs1.
What is the InChIKey of 4-[4-(1H-indol-3-yl)butanoyl]-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperazine-1-carboxamide?
The InChIKey is GRLZNOBKLBJHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3S/c1-16(21(31)27-22-24-9-14-33-22)26-23(32)29-12-10-28(11-13-29)20(30)8-4-5-17-15-25-19-7-3-2-6-18(17)19/h2-3,6-7,9,14-16,25H,4-5,8,10-13H2,1H3,(H,26,32)(H,24,27,31).
What are the key properties of 4-[4-(1H-indol-3-yl)butanoyl]-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperazine-1-carboxamide?
4-[4-(1H-indol-3-yl)butanoyl]-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperazine-1-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-indol-3-yl)butanoyl]-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 45370840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).