2-(2,2-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide

C16H24FN3O — CID 65461158

IUPAC2-(2,2-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN1CCNCC1(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H24FN3O/c1-12(13-4-6-14(17)7-5-13)19-15(21)10-20-9-8-18-11-16(20,2)3/h4-7,12,18H,8-11H2,1-3H3,(H,19,21)
InChIKeyCCARMKKOJDNQEQ-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.69
Rot. Bonds4

About 2-(2,2-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide

2-(2,2-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 65461158) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-(2,2-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,2-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
PubChem CID65461158
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name2-(2,2-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CN1CCNCC1(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H24FN3O/c1-12(13-4-6-14(17)7-5-13)19-15(21)10-20-9-8-18-11-16(20,2)3/h4-7,12,18H,8-11H2,1-3H3,(H,19,21)
InChIKeyCCARMKKOJDNQEQ-UHFFFAOYSA-N
XLogP1.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-morpholin-4-ylacetamide
CID 2534176
2-(2,2-dimethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 65462375
2-(2,2-dimethylpiperazin-1-yl)-N-(3-methylbutyl)acetamide
CID 65462165
N-carbamoyl-2-(2,2-dimethylpiperazin-1-yl)acetamide
CID 65463600
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide
CID 31502166
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
2-[4,7-bis[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 100946771
N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914722
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
2-(3,5-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
CID 119923921
2-(1,4-diazepan-1-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 81356922

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide (CID 65461158) is 2-(2,2-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,2-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,2-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide is CC(NC(=O)CN1CCNCC1(C)C)c1ccc(F)cc1.
What is the InChIKey of 2-(2,2-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is CCARMKKOJDNQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-12(13-4-6-14(17)7-5-13)19-15(21)10-20-9-8-18-11-16(20,2)3/h4-7,12,18H,8-11H2,1-3H3,(H,19,21).
What are the key properties of 2-(2,2-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide?
2-(2,2-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 293.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpiperazin-1-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 65461158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).