3-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide

C14H19ClF2N2OS — CID 49072592

IUPAC3-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide
SMILESO=C(CCc1ccc(Cl)s1)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C14H19ClF2N2OS/c15-12-3-1-11(21-12)2-4-14(20)18-10-5-7-19(8-6-10)9-13(16)17/h1,3,10,13H,2,4-9H2,(H,18,20)
InChIKeyRVZMHXOXMJAZSZ-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.18
Rot. Bonds6

About 3-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide

3-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide (PubChem CID 49072592) has the molecular formula C14H19ClF2N2OS and a molecular weight of 336.84 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide
PubChem CID49072592
Molecular FormulaC14H19ClF2N2OS
Molecular Weight336.84 g/mol
Exact Mass336.09
IUPAC Name3-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide
SMILESO=C(CCc1ccc(Cl)s1)NC1CCN(CC(F)F)CC1
InChIInChI=1S/C14H19ClF2N2OS/c15-12-3-1-11(21-12)2-4-14(20)18-10-5-7-19(8-6-10)9-13(16)17/h1,3,10,13H,2,4-9H2,(H,18,20)
InChIKeyRVZMHXOXMJAZSZ-UHFFFAOYSA-N
XLogP3.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide (CID 49072592) is 3-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide is O=C(CCc1ccc(Cl)s1)NC1CCN(CC(F)F)CC1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide?
The InChIKey is RVZMHXOXMJAZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF2N2OS/c15-12-3-1-11(21-12)2-4-14(20)18-10-5-7-19(8-6-10)9-13(16)17/h1,3,10,13H,2,4-9H2,(H,18,20).
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide?
3-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide has a molecular weight of 336.84 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 49072592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).