N-ethyl-N-(3-fluorophenyl)-3-methylpiperidine-1-carboxamide

C15H21FN2O — CID 116655222

IUPACN-ethyl-N-(3-fluorophenyl)-3-methylpiperidine-1-carboxamide
SMILESCCN(C(=O)N1CCCC(C)C1)c1cccc(F)c1
InChIInChI=1S/C15H21FN2O/c1-3-18(14-8-4-7-13(16)10-14)15(19)17-9-5-6-12(2)11-17/h4,7-8,10,12H,3,5-6,9,11H2,1-2H3
InChIKeyXXSVCLWVNHUOHJ-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.50
Rot. Bonds2

About N-ethyl-N-(3-fluorophenyl)-3-methylpiperidine-1-carboxamide

N-ethyl-N-(3-fluorophenyl)-3-methylpiperidine-1-carboxamide (PubChem CID 116655222) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is N-ethyl-N-(3-fluorophenyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-fluorophenyl)-3-methylpiperidine-1-carboxamide
PubChem CID116655222
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC NameN-ethyl-N-(3-fluorophenyl)-3-methylpiperidine-1-carboxamide
SMILESCCN(C(=O)N1CCCC(C)C1)c1cccc(F)c1
InChIInChI=1S/C15H21FN2O/c1-3-18(14-8-4-7-13(16)10-14)15(19)17-9-5-6-12(2)11-17/h4,7-8,10,12H,3,5-6,9,11H2,1-2H3
InChIKeyXXSVCLWVNHUOHJ-UHFFFAOYSA-N
XLogP3.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N-(3-methylphenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056588
1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318507
N,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 108990934
(2S,4R)-1-[ethyl-(3-fluorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842361
N-(3-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113132344
N-(3-fluorophenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43900271
N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
N-ethyl-2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-N-phenylacetamide
CID 51116457
N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide
CID 55149318
(3R)-N-ethyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 81140928
2-cyclopropyl-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]acetic acid
CID 62709879
2-(2,4-difluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110488890

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-fluorophenyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-ethyl-N-(3-fluorophenyl)-3-methylpiperidine-1-carboxamide (CID 116655222) is N-ethyl-N-(3-fluorophenyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-fluorophenyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-ethyl-N-(3-fluorophenyl)-3-methylpiperidine-1-carboxamide is CCN(C(=O)N1CCCC(C)C1)c1cccc(F)c1.
What is the InChIKey of N-ethyl-N-(3-fluorophenyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is XXSVCLWVNHUOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-3-18(14-8-4-7-13(16)10-14)15(19)17-9-5-6-12(2)11-17/h4,7-8,10,12H,3,5-6,9,11H2,1-2H3.
What are the key properties of N-ethyl-N-(3-fluorophenyl)-3-methylpiperidine-1-carboxamide?
N-ethyl-N-(3-fluorophenyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 264.34 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-fluorophenyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 116655222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).