2-[4-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]piperazin-1-yl]-N-cyclopropylpropanamide

C18H24ClN3O3S — CID 51329176

IUPAC2-[4-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)CCC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C18H24ClN3O3S/c1-12(18(25)20-13-2-3-13)21-8-10-22(11-9-21)17(24)7-4-14(23)15-5-6-16(19)26-15/h5-6,12-13H,2-4,7-11H2,1H3,(H,20,25)
InChIKeyDIIAJDIQYPQRKC-UHFFFAOYSA-N
MW397.93 g/mol
LogP2.18
Rot. Bonds7

About 2-[4-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]piperazin-1-yl]-N-cyclopropylpropanamide

2-[4-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 51329176) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is 2-[4-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]piperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID51329176
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC Name2-[4-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(=O)CCC(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C18H24ClN3O3S/c1-12(18(25)20-13-2-3-13)21-8-10-22(11-9-21)17(24)7-4-14(23)15-5-6-16(19)26-15/h5-6,12-13H,2-4,7-11H2,1H3,(H,20,25)
InChIKeyDIIAJDIQYPQRKC-UHFFFAOYSA-N
XLogP2.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[4-[4-(4-ethylphenyl)-4-oxobutanoyl]piperazin-1-yl]propanamide
CID 51299602
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46700299
1-(5-chlorothiophen-2-yl)-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110023255
1-(5-chlorothiophen-2-yl)-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]butane-1,4-dione
CID 134021698
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 119839097
N-cyclopropyl-2-[4-[3-(4-ethylphenyl)propanoyl]piperazin-1-yl]propanamide
CID 51299654
2-[4-(3-aminopropanoyl)piperazin-1-yl]-N-cyclopropylpropanamide;dihydrochloride
CID 119839096
2-[4-[3-(2-aminophenyl)propanoyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 120612201
N-[3-[4-[1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 51299599
N-cyclopropyl-2-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 78831379
N-cyclopropyl-2-[4-[3-(2-oxo-1-pyridinyl)propanoyl]piperazin-1-yl]propanamide
CID 86979582
1-(5-chlorothiophen-2-yl)-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione
CID 34307410

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]piperazin-1-yl]-N-cyclopropylpropanamide (CID 51329176) is 2-[4-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]piperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]piperazin-1-yl]-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)N1CCN(C(=O)CCC(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 2-[4-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is DIIAJDIQYPQRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3S/c1-12(18(25)20-13-2-3-13)21-8-10-22(11-9-21)17(24)7-4-14(23)15-5-6-16(19)26-15/h5-6,12-13H,2-4,7-11H2,1H3,(H,20,25).
What are the key properties of 2-[4-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]piperazin-1-yl]-N-cyclopropylpropanamide?
2-[4-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 397.93 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]piperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 51329176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).