N-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide

C18H25FN2O2 — CID 113004169

IUPACN-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide
SMILESCC(C)CC(=O)N1CCC(C(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C18H25FN2O2/c1-13(2)11-17(22)21-9-7-14(8-10-21)18(23)20-12-15-5-3-4-6-16(15)19/h3-6,13-14H,7-12H2,1-2H3,(H,20,23)
InChIKeyIZNGYMJERLQILM-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.73
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide

N-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide (PubChem CID 113004169) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide
PubChem CID113004169
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC NameN-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide
SMILESCC(C)CC(=O)N1CCC(C(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C18H25FN2O2/c1-13(2)11-17(22)21-9-7-14(8-10-21)18(23)20-12-15-5-3-4-6-16(15)19/h3-6,13-14H,7-12H2,1-2H3,(H,20,23)
InChIKeyIZNGYMJERLQILM-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 26241437
3-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
CID 110819642
3-N-[(2-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42959130
N-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113006871
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 108993727
N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007102
4-N-cyclopropyl-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144675
N-[(2-fluorophenyl)methyl]-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151204
N-[2-(2-fluorophenyl)ethyl]-1-(3-methylsulfanylpropanoyl)piperidine-4-carboxamide
CID 55778984
N-[(2-fluorophenyl)methyl]-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004210
4-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148380

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide (CID 113004169) is N-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide is CC(C)CC(=O)N1CCC(C(=O)NCc2ccccc2F)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide?
The InChIKey is IZNGYMJERLQILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-13(2)11-17(22)21-9-7-14(8-10-21)18(23)20-12-15-5-3-4-6-16(15)19/h3-6,13-14H,7-12H2,1-2H3,(H,20,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide?
N-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-(3-methylbutanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113004169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).