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

C18H26FN3O2 — CID 71866997

IUPAC4-[4-(3-fluorophenyl)-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCC(CC(=O)N1CCN(C(=O)N(C)C)CC1)Cc1cccc(F)c1
InChIInChI=1S/C18H26FN3O2/c1-14(11-15-5-4-6-16(19)13-15)12-17(23)21-7-9-22(10-8-21)18(24)20(2)3/h4-6,13-14H,7-12H2,1-3H3
InChIKeyXDTHSQHDHDMJKB-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.22
Rot. Bonds4

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

4-[4-(3-fluorophenyl)-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 71866997) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID71866997
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name4-[4-(3-fluorophenyl)-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCC(CC(=O)N1CCN(C(=O)N(C)C)CC1)Cc1cccc(F)c1
InChIInChI=1S/C18H26FN3O2/c1-14(11-15-5-4-6-16(19)13-15)12-17(23)21-7-9-22(10-8-21)18(24)20(2)3/h4-6,13-14H,7-12H2,1-3H3
InChIKeyXDTHSQHDHDMJKB-UHFFFAOYSA-N
XLogP2.22
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminopiperidin-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one
CID 119376448
4-(3-fluorophenyl)-1-[4-(1-hydroxypropan-2-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 126835524
1-(1,4-diazepan-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one
CID 119418218
1-[4-(3-fluorophenyl)-3-methylbutanoyl]-3-methylazetidine-3-carboxamide
CID 126819981
4-[3-(2,4-difluorophenyl)butanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 71911174
1-[1-[4-(3-fluorophenyl)-3-methylbutanoyl]piperidin-4-yl]pyrrolidin-2-one
CID 71984328
1-[4-[3-(3-fluorophenyl)propanoyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110604587
2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid
CID 119359285
4-[(3-fluorophenyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 83201814
4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 120736192
(3S)-N-ethyl-4-(3-fluorophenyl)-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
CID 124882902
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluorophenyl)-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[4-(3-fluorophenyl)-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide (CID 71866997) is 4-[4-(3-fluorophenyl)-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(3-fluorophenyl)-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[4-(3-fluorophenyl)-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide is CC(CC(=O)N1CCN(C(=O)N(C)C)CC1)Cc1cccc(F)c1.
What is the InChIKey of 4-[4-(3-fluorophenyl)-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is XDTHSQHDHDMJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-14(11-15-5-4-6-16(19)13-15)12-17(23)21-7-9-22(10-8-21)18(24)20(2)3/h4-6,13-14H,7-12H2,1-3H3.
What are the key properties of 4-[4-(3-fluorophenyl)-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[4-(3-fluorophenyl)-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluorophenyl)-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 71866997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).