2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide

C17H23ClFN3O2 — CID 56902461

IUPAC2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CC1C(=O)NCCN1Cc1c(F)cccc1Cl
InChIInChI=1S/C17H23ClFN3O2/c1-11(2)21(3)16(23)9-15-17(24)20-7-8-22(15)10-12-13(18)5-4-6-14(12)19/h4-6,11,15H,7-10H2,1-3H3,(H,20,24)
InChIKeyOIMZXMPBDKPKLE-UHFFFAOYSA-N
MW355.84 g/mol
LogP2.04
Rot. Bonds5

About 2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide

2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 56902461) has the molecular formula C17H23ClFN3O2 and a molecular weight of 355.84 g/mol. Its IUPAC name is 2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID56902461
Molecular FormulaC17H23ClFN3O2
Molecular Weight355.84 g/mol
Exact Mass355.15
IUPAC Name2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CC1C(=O)NCCN1Cc1c(F)cccc1Cl
InChIInChI=1S/C17H23ClFN3O2/c1-11(2)21(3)16(23)9-15-17(24)20-7-8-22(15)10-12-13(18)5-4-6-14(12)19/h4-6,11,15H,7-10H2,1-3H3,(H,20,24)
InChIKeyOIMZXMPBDKPKLE-UHFFFAOYSA-N
XLogP2.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-dimethylacetamide
CID 95725923
2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-cyclopropylacetamide
CID 56885861
N-(2-amino-2-oxoethyl)-2-[(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95723596
2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
CID 95716903
2-[(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-cycloheptylacetamide
CID 42381747
N-methyl-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95725127
N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95725128
2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-methylsulfanylpropyl)acetamide
CID 45192706
2-[(2R)-1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 42243912
N-methyl-2-[3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-propan-2-ylacetamide
CID 56888360
2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 56897419
2-[1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide
CID 56898233

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide (CID 56902461) is 2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CC1C(=O)NCCN1Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is OIMZXMPBDKPKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClFN3O2/c1-11(2)21(3)16(23)9-15-17(24)20-7-8-22(15)10-12-13(18)5-4-6-14(12)19/h4-6,11,15H,7-10H2,1-3H3,(H,20,24).
What are the key properties of 2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide?
2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 355.84 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-6-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 56902461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).