N-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-thiophen-2-ylpropyl]acetamide

C19H28N4O3S — CID 46575997

IUPACN-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1cccs1
InChIInChI=1S/C19H28N4O3S/c1-15(24)20-16(17-5-4-12-27-17)13-18(25)23-10-8-21(9-11-23)14-19(26)22-6-2-3-7-22/h4-5,12,16H,2-3,6-11,13-14H2,1H3,(H,20,24)
InChIKeyGDKPRPXTXCQXBQ-UHFFFAOYSA-N
MW392.53 g/mol
LogP1.08
Rot. Bonds6

About N-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-thiophen-2-ylpropyl]acetamide

N-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-thiophen-2-ylpropyl]acetamide (PubChem CID 46575997) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-thiophen-2-ylpropyl]acetamide.

Molecular Properties

Compound NameN-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-thiophen-2-ylpropyl]acetamide
PubChem CID46575997
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC NameN-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1cccs1
InChIInChI=1S/C19H28N4O3S/c1-15(24)20-16(17-5-4-12-27-17)13-18(25)23-10-8-21(9-11-23)14-19(26)22-6-2-3-7-22/h4-5,12,16H,2-3,6-11,13-14H2,1H3,(H,20,24)
InChIKeyGDKPRPXTXCQXBQ-UHFFFAOYSA-N
XLogP1.08
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide
CID 47017273
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CID 43422177
N-[(1S)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 41430751
N-[(1S)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 94017783
[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] (3R)-3-acetamido-3-thiophen-2-ylpropanoate
CID 93275939
N-[3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 55486795
N-[(1S)-3-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 34729697
N-[(1R)-3-oxo-3-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-1-thiophen-2-ylpropyl]acetamide
CID 41293735
1-(azepan-1-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 78808495
N-[3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 43039385
N-[(1S)-3-oxo-1-thiophen-2-yl-3-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propyl]acetamide
CID 95761364
N-[(1R)-3-oxo-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]-1-thiophen-2-ylpropyl]acetamide
CID 95124338

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-thiophen-2-ylpropyl]acetamide?
The IUPAC name of N-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-thiophen-2-ylpropyl]acetamide (CID 46575997) is N-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-thiophen-2-ylpropyl]acetamide.
What is the SMILES notation for N-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-thiophen-2-ylpropyl]acetamide?
The canonical SMILES for N-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-thiophen-2-ylpropyl]acetamide is CC(=O)NC(CC(=O)N1CCN(CC(=O)N2CCCC2)CC1)c1cccs1.
What is the InChIKey of N-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-thiophen-2-ylpropyl]acetamide?
The InChIKey is GDKPRPXTXCQXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-15(24)20-16(17-5-4-12-27-17)13-18(25)23-10-8-21(9-11-23)14-19(26)22-6-2-3-7-22/h4-5,12,16H,2-3,6-11,13-14H2,1H3,(H,20,24).
What are the key properties of N-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-thiophen-2-ylpropyl]acetamide?
N-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-thiophen-2-ylpropyl]acetamide has a molecular weight of 392.53 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-thiophen-2-ylpropyl]acetamide is sourced from PubChem (CID 46575997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).