2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide

C16H21F2N3O2 — CID 110283976

IUPAC2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1NCCN(Cc2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C16H21F2N3O2/c1-10(2)20-15(22)8-14-16(23)21(4-3-19-14)9-11-5-12(17)7-13(18)6-11/h5-7,10,14,19H,3-4,8-9H2,1-2H3,(H,20,22)
InChIKeyAMYMDAFVURDJHF-UHFFFAOYSA-N
MW325.36 g/mol
LogP1.18
Rot. Bonds5

About 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide

2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide (PubChem CID 110283976) has the molecular formula C16H21F2N3O2 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
PubChem CID110283976
Molecular FormulaC16H21F2N3O2
Molecular Weight325.36 g/mol
Exact Mass325.16
IUPAC Name2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1NCCN(Cc2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C16H21F2N3O2/c1-10(2)20-15(22)8-14-16(23)21(4-3-19-14)9-11-5-12(17)7-13(18)6-11/h5-7,10,14,19H,3-4,8-9H2,1-2H3,(H,20,22)
InChIKeyAMYMDAFVURDJHF-UHFFFAOYSA-N
XLogP1.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide (CID 110283976) is 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CC1NCCN(Cc2cc(F)cc(F)c2)C1=O.
What is the InChIKey of 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide?
The InChIKey is AMYMDAFVURDJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O2/c1-10(2)20-15(22)8-14-16(23)21(4-3-19-14)9-11-5-12(17)7-13(18)6-11/h5-7,10,14,19H,3-4,8-9H2,1-2H3,(H,20,22).
What are the key properties of 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide?
2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide has a molecular weight of 325.36 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 110283976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).