1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one

C15H20ClN3O2S — CID 56821763

IUPAC1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C(CCc1ccc(Cl)s1)N1CCCC(N2CCNC2=O)C1
InChIInChI=1S/C15H20ClN3O2S/c16-13-5-3-12(22-13)4-6-14(20)18-8-1-2-11(10-18)19-9-7-17-15(19)21/h3,5,11H,1-2,4,6-10H2,(H,17,21)
InChIKeyYIUQGZKLPHYTNZ-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.35
Rot. Bonds4

About 1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one

1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one (PubChem CID 56821763) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is 1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
PubChem CID56821763
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Name1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
SMILESO=C(CCc1ccc(Cl)s1)N1CCCC(N2CCNC2=O)C1
InChIInChI=1S/C15H20ClN3O2S/c16-13-5-3-12(22-13)4-6-14(20)18-8-1-2-11(10-18)19-9-7-17-15(19)21/h3,5,11H,1-2,4,6-10H2,(H,17,21)
InChIKeyYIUQGZKLPHYTNZ-UHFFFAOYSA-N
XLogP2.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-Chlorothiophen-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 45814262
4-(2-amino-2-oxoethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-1-carboxamide
CID 51084665
1-[(5-Chlorothiophen-2-yl)methyl]-1-methyl-3-[2-(2-oxoazepan-1-yl)ethyl]urea
CID 51084946
1-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 52910545
4-acetyl-N-[2-(5-chlorothiophen-2-yl)ethyl]piperazine-1-carboxamide
CID 53503958
[1-(5-Chlorothiophene-2-carbonyl)piperidin-2-yl]methylurea
CID 53607981
1-[1-(3-Thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidin-2-one
CID 56816286
1-[1-(4-Thiophen-2-ylbutanoyl)piperidin-4-yl]imidazolidin-2-one
CID 56816289
1-[1-[3-(5-Chlorothiophen-2-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 56816844
1-[1-(3-Thiophen-2-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one
CID 56821796
1-[(5-Chlorothiophen-2-yl)methyl]-3-[2-(2-oxoazepan-1-yl)ethyl]urea
CID 71894683
1-[1-(5-Chlorothiophen-2-yl)ethyl]-3-[2-(2-oxoazepan-1-yl)ethyl]urea
CID 71894741

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one (CID 56821763) is 1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one is O=C(CCc1ccc(Cl)s1)N1CCCC(N2CCNC2=O)C1.
What is the InChIKey of 1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one?
The InChIKey is YIUQGZKLPHYTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/c16-13-5-3-12(22-13)4-6-14(20)18-8-1-2-11(10-18)19-9-7-17-15(19)21/h3,5,11H,1-2,4,6-10H2,(H,17,21).
What are the key properties of 1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one?
1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one has a molecular weight of 341.86 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 56821763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).