N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

C18H25FN2O2 — CID 32796393

IUPACN-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NCCc2cccc(F)c2)CC1
InChIInChI=1S/C18H25FN2O2/c1-13(2)18(23)21-10-7-15(8-11-21)17(22)20-9-6-14-4-3-5-16(19)12-14/h3-5,12-13,15H,6-11H2,1-2H3,(H,20,22)
InChIKeySZKAJKFTGLDDTK-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.38
Rot. Bonds5

About N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 32796393) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID32796393
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NCCc2cccc(F)c2)CC1
InChIInChI=1S/C18H25FN2O2/c1-13(2)18(23)21-10-7-15(8-11-21)17(22)20-9-6-14-4-3-5-16(19)12-14/h3-5,12-13,15H,6-11H2,1-2H3,(H,20,22)
InChIKeySZKAJKFTGLDDTK-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32541358
N-[2-(3,4-diethoxyphenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32560217
1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434840
1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide
CID 90729185
4-N-[2-(3,5-difluorophenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 60610429
1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004740
N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16675649
cis-(1S,2R)-N-[2-(3-fluorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95298659
2-[4-[2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 119255824
(2S,4S)-N-[2-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120618703
N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113003928
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 134039849

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 32796393) is N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)NCCc2cccc(F)c2)CC1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is SZKAJKFTGLDDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-13(2)18(23)21-10-7-15(8-11-21)17(22)20-9-6-14-4-3-5-16(19)12-14/h3-5,12-13,15H,6-11H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 32796393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).