4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide

C16H22FN3O2 — CID 110421664

IUPAC4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)CCc2ccccc2F)CC1
InChIInChI=1S/C16H22FN3O2/c1-18(2)16(22)20-11-9-19(10-12-20)15(21)8-7-13-5-3-4-6-14(13)17/h3-6H,7-12H2,1-2H3
InChIKeyIZSBOQDMHSAQEL-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.58
Rot. Bonds3

About 4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide

4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 110421664) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID110421664
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)CCc2ccccc2F)CC1
InChIInChI=1S/C16H22FN3O2/c1-18(2)16(22)20-11-9-19(10-12-20)15(21)8-7-13-5-3-4-6-14(13)17/h3-6H,7-12H2,1-2H3
InChIKeyIZSBOQDMHSAQEL-UHFFFAOYSA-N
XLogP1.58
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110611618
1-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802493
3-(2-fluorophenyl)-1-[4-(3-methylsulfonylpropanoyl)piperazin-1-yl]propan-1-one
CID 110611427
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(2-fluorophenyl)butan-1-one
CID 110611599
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822692
3-(2-fluorophenyl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]propan-1-one
CID 95351563
3-(2-fluorophenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 9398051
1-(4,4-dimethoxypiperidin-1-yl)-3-(2-fluorophenyl)propan-1-one
CID 112534879
4-[3-(2-fluorophenyl)propanoyl]-1-methylpiperazin-2-one
CID 110708111
3-(2-fluorophenyl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one
CID 110603269
1-(4-ethylsulfonyl-1,4-diazepan-1-yl)-3-(2-fluorophenyl)propan-1-one
CID 110799513
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110613299

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide (CID 110421664) is 4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(C(=O)CCc2ccccc2F)CC1.
What is the InChIKey of 4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is IZSBOQDMHSAQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-18(2)16(22)20-11-9-19(10-12-20)15(21)8-7-13-5-3-4-6-14(13)17/h3-6H,7-12H2,1-2H3.
What are the key properties of 4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 307.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 110421664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).