N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-2-carboxamide

C15H21FN2O3S — CID 119333652

IUPACN-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)C1CCCCN1)c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C15H21FN2O3S/c1-10(18-15(19)13-5-3-4-8-17-13)11-6-7-14(12(16)9-11)22(2,20)21/h6-7,9-10,13,17H,3-5,8H2,1-2H3,(H,18,19)
InChIKeySELGJQZEDPHGAN-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.55
Rot. Bonds4

About N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-2-carboxamide

N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-2-carboxamide (PubChem CID 119333652) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-2-carboxamide
PubChem CID119333652
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC NameN-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)C1CCCCN1)c1ccc(S(C)(=O)=O)c(F)c1
InChIInChI=1S/C15H21FN2O3S/c1-10(18-15(19)13-5-3-4-8-17-13)11-6-7-14(12(16)9-11)22(2,20)21/h6-7,9-10,13,17H,3-5,8H2,1-2H3,(H,18,19)
InChIKeySELGJQZEDPHGAN-UHFFFAOYSA-N
XLogP1.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119269548
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]pyrazolidine-3-carboxamide
CID 134068376
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 43709599
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 60711733
(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794212
N-[(1R)-1-(3-fluorophenyl)ethyl]azepane-2-carboxamide
CID 81365964
4-[1-(3-fluoro-4-methylsulfonylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673846
(2S)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274665
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-2-carboxamide
CID 43705280
(2S)-N-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 99852704

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-2-carboxamide?
The IUPAC name of N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-2-carboxamide (CID 119333652) is N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-2-carboxamide is CC(NC(=O)C1CCCCN1)c1ccc(S(C)(=O)=O)c(F)c1.
What is the InChIKey of N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-2-carboxamide?
The InChIKey is SELGJQZEDPHGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-10(18-15(19)13-5-3-4-8-17-13)11-6-7-14(12(16)9-11)22(2,20)21/h6-7,9-10,13,17H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-2-carboxamide?
N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-2-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 119333652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).