3-(4-fluorophenyl)-4-methyl-N-(3-methylbutyl)piperazine-1-carboxamide

C17H26FN3O — CID 110617343

IUPAC3-(4-fluorophenyl)-4-methyl-N-(3-methylbutyl)piperazine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCN(C)C(c2ccc(F)cc2)C1
InChIInChI=1S/C17H26FN3O/c1-13(2)8-9-19-17(22)21-11-10-20(3)16(12-21)14-4-6-15(18)7-5-14/h4-7,13,16H,8-12H2,1-3H3,(H,19,22)
InChIKeyNQBAWEYZNZDIMA-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.87
Rot. Bonds4

About 3-(4-fluorophenyl)-4-methyl-N-(3-methylbutyl)piperazine-1-carboxamide

3-(4-fluorophenyl)-4-methyl-N-(3-methylbutyl)piperazine-1-carboxamide (PubChem CID 110617343) has the molecular formula C17H26FN3O and a molecular weight of 307.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-methyl-N-(3-methylbutyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-methyl-N-(3-methylbutyl)piperazine-1-carboxamide
PubChem CID110617343
Molecular FormulaC17H26FN3O
Molecular Weight307.41 g/mol
Exact Mass307.21
IUPAC Name3-(4-fluorophenyl)-4-methyl-N-(3-methylbutyl)piperazine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCN(C)C(c2ccc(F)cc2)C1
InChIInChI=1S/C17H26FN3O/c1-13(2)8-9-19-17(22)21-11-10-20(3)16(12-21)14-4-6-15(18)7-5-14/h4-7,13,16H,8-12H2,1-3H3,(H,19,22)
InChIKeyNQBAWEYZNZDIMA-UHFFFAOYSA-N
XLogP2.87
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
CID 50746934
1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-3-phenylbutan-1-one
CID 110610580
[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 84513587
1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 110610609
3-(4-fluorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110602930
N-(3-chlorophenyl)-3-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide
CID 110418645
3-(1,1-dioxothiolan-3-yl)-1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]propan-1-one
CID 110617347
1-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]butane-1,4-dione
CID 110617335
[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110416916
(E)-1-[3-(4-fluorophenyl)-4-methylpiperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 110617340
N-(3-methylbutyl)-4-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113110756
(3R,4S)-1-N-tert-butyl-4-(4-fluorophenyl)-3-N-(3-methylbutyl)pyrrolidine-1,3-dicarboxamide
CID 97479156

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-methyl-N-(3-methylbutyl)piperazine-1-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-4-methyl-N-(3-methylbutyl)piperazine-1-carboxamide (CID 110617343) is 3-(4-fluorophenyl)-4-methyl-N-(3-methylbutyl)piperazine-1-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-4-methyl-N-(3-methylbutyl)piperazine-1-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-4-methyl-N-(3-methylbutyl)piperazine-1-carboxamide is CC(C)CCNC(=O)N1CCN(C)C(c2ccc(F)cc2)C1.
What is the InChIKey of 3-(4-fluorophenyl)-4-methyl-N-(3-methylbutyl)piperazine-1-carboxamide?
The InChIKey is NQBAWEYZNZDIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O/c1-13(2)8-9-19-17(22)21-11-10-20(3)16(12-21)14-4-6-15(18)7-5-14/h4-7,13,16H,8-12H2,1-3H3,(H,19,22).
What are the key properties of 3-(4-fluorophenyl)-4-methyl-N-(3-methylbutyl)piperazine-1-carboxamide?
3-(4-fluorophenyl)-4-methyl-N-(3-methylbutyl)piperazine-1-carboxamide has a molecular weight of 307.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-methyl-N-(3-methylbutyl)piperazine-1-carboxamide is sourced from PubChem (CID 110617343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).