N-[(3,5-difluorophenyl)methyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide

C18H19F2N3O2S — CID 45240837

IUPACN-[(3,5-difluorophenyl)methyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1cccs1)NCc1cc(F)cc(F)c1
InChIInChI=1S/C18H19F2N3O2S/c19-13-6-12(7-14(20)8-13)10-22-17(24)9-16-18(25)21-3-4-23(16)11-15-2-1-5-26-15/h1-2,5-8,16H,3-4,9-11H2,(H,21,25)(H,22,24)
InChIKeyPONMEMAVHFUNRY-UHFFFAOYSA-N
MW379.43 g/mol
LogP2.03
Rot. Bonds6

About N-[(3,5-difluorophenyl)methyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide

N-[(3,5-difluorophenyl)methyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide (PubChem CID 45240837) has the molecular formula C18H19F2N3O2S and a molecular weight of 379.43 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
PubChem CID45240837
Molecular FormulaC18H19F2N3O2S
Molecular Weight379.43 g/mol
Exact Mass379.12
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1cccs1)NCc1cc(F)cc(F)c1
InChIInChI=1S/C18H19F2N3O2S/c19-13-6-12(7-14(20)8-13)10-22-17(24)9-16-18(25)21-3-4-23(16)11-15-2-1-5-26-15/h1-2,5-8,16H,3-4,9-11H2,(H,21,25)(H,22,24)
InChIKeyPONMEMAVHFUNRY-UHFFFAOYSA-N
XLogP2.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide (CID 45240837) is N-[(3,5-difluorophenyl)methyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide is O=C(CC1C(=O)NCCN1Cc1cccs1)NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide?
The InChIKey is PONMEMAVHFUNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2S/c19-13-6-12(7-14(20)8-13)10-22-17(24)9-16-18(25)21-3-4-23(16)11-15-2-1-5-26-15/h1-2,5-8,16H,3-4,9-11H2,(H,21,25)(H,22,24).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide?
N-[(3,5-difluorophenyl)methyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide has a molecular weight of 379.43 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide is sourced from PubChem (CID 45240837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).