1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one

C15H20ClN3O2S — CID 56816844

IUPAC1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C(CCc1ccc(Cl)s1)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C15H20ClN3O2S/c16-13-3-1-12(22-13)2-4-14(20)18-8-5-11(6-9-18)19-10-7-17-15(19)21/h1,3,11H,2,4-10H2,(H,17,21)
InChIKeyCNVYWTJSIZTPOS-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.35
Rot. Bonds4

About 1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 56816844) 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-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID56816844
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Name1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C(CCc1ccc(Cl)s1)N1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C15H20ClN3O2S/c16-13-3-1-12(22-13)2-4-14(20)18-8-5-11(6-9-18)19-10-7-17-15(19)21/h1,3,11H,2,4-10H2,(H,17,21)
InChIKeyCNVYWTJSIZTPOS-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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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one (CID 56816844) is 1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one is O=C(CCc1ccc(Cl)s1)N1CCC(N2CCNC2=O)CC1.
What is the InChIKey of 1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is CNVYWTJSIZTPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/c16-13-3-1-12(22-13)2-4-14(20)18-8-5-11(6-9-18)19-10-7-17-15(19)21/h1,3,11H,2,4-10H2,(H,17,21).
What are the key properties of 1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[3-(5-chlorothiophen-2-yl)propanoyl]piperidin-4-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-4-yl]imidazolidin-2-one is sourced from PubChem (CID 56816844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).