N,N-diethyl-4-[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]piperazine-1-carboxamide

C25H31N5O3S — CID 46440333

IUPACN,N-diethyl-4-[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)CC1
InChIInChI=1S/C25H31N5O3S/c1-3-28(4-2)25(33)30-13-11-29(12-14-30)24(32)21(27-23(31)22-10-7-15-34-22)16-18-17-26-20-9-6-5-8-19(18)20/h5-10,15,17,21,26H,3-4,11-14,16H2,1-2H3,(H,27,31)
InChIKeyXAYWELSUBZIPOA-UHFFFAOYSA-N
MW481.62 g/mol
LogP3.18
Rot. Bonds7

About N,N-diethyl-4-[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]piperazine-1-carboxamide

N,N-diethyl-4-[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]piperazine-1-carboxamide (PubChem CID 46440333) has the molecular formula C25H31N5O3S and a molecular weight of 481.62 g/mol. Its IUPAC name is N,N-diethyl-4-[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]piperazine-1-carboxamide
PubChem CID46440333
Molecular FormulaC25H31N5O3S
Molecular Weight481.62 g/mol
Exact Mass481.21
IUPAC NameN,N-diethyl-4-[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)CC1
InChIInChI=1S/C25H31N5O3S/c1-3-28(4-2)25(33)30-13-11-29(12-14-30)24(32)21(27-23(31)22-10-7-15-34-22)16-18-17-26-20-9-6-5-8-19(18)20/h5-10,15,17,21,26H,3-4,11-14,16H2,1-2H3,(H,27,31)
InChIKeyXAYWELSUBZIPOA-UHFFFAOYSA-N
XLogP3.18
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N-diethyl-4-[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 3549726
methyl (2R)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 6923544
N-[3-(1H-indol-3-yl)-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647922
N-[1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647817
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
CID 42698643
N-[1-(cyanomethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 10338092
[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoate
CID 42552078
N-[(2R)-3-(1H-indol-3-yl)-1-[(1-methylpyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 26288160
N-[3-(1H-indol-3-yl)-1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55550324
N-[(2S)-1-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 24550043
N-[1-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46563864
N-[(2S)-1-[2-(4-ethoxybenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55937049

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]piperazine-1-carboxamide (CID 46440333) is N,N-diethyl-4-[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2cccs2)CC1.
What is the InChIKey of N,N-diethyl-4-[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]piperazine-1-carboxamide?
The InChIKey is XAYWELSUBZIPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3S/c1-3-28(4-2)25(33)30-13-11-29(12-14-30)24(32)21(27-23(31)22-10-7-15-34-22)16-18-17-26-20-9-6-5-8-19(18)20/h5-10,15,17,21,26H,3-4,11-14,16H2,1-2H3,(H,27,31).
What are the key properties of N,N-diethyl-4-[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]piperazine-1-carboxamide?
N,N-diethyl-4-[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]piperazine-1-carboxamide has a molecular weight of 481.62 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[3-(1H-indol-3-yl)-2-(thiophene-2-carbonylamino)propanoyl]piperazine-1-carboxamide is sourced from PubChem (CID 46440333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).