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

C23H27FN2O3S — CID 91941986

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C23H27FN2O3S/c1-2-25(18-20-9-6-10-22(24)17-20)23(27)21-11-14-26(15-12-21)30(28,29)16-13-19-7-4-3-5-8-19/h3-10,13,16-17,21H,2,11-12,14-15,18H2,1H3
InChIKeyRFGYDWQCFIQVIO-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.89
Rot. Bonds7

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

N-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide (PubChem CID 91941986) has the molecular formula C23H27FN2O3S and a molecular weight of 430.55 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
PubChem CID91941986
Molecular FormulaC23H27FN2O3S
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C23H27FN2O3S/c1-2-25(18-20-9-6-10-22(24)17-20)23(27)21-11-14-26(15-12-21)30(28,29)16-13-19-7-4-3-5-8-19/h3-10,13,16-17,21H,2,11-12,14-15,18H2,1H3
InChIKeyRFGYDWQCFIQVIO-UHFFFAOYSA-N
XLogP3.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55856025
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550301
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134048626
[4-[(3-fluorophenyl)methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]methanol
CID 25367608
N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004413
N-[[2-(diethylaminomethyl)phenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 27335639
N-benzyl-N-ethyl-1-(3-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 71737574
N-phenyl-1-[(E)-2-phenylethenyl]sulfonyl-N-prop-2-enylpiperidine-4-carboxamide
CID 55551266
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
N,N-diethyl-1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 86870583
N-(2,6-difluorophenyl)-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 76859981

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide (CID 91941986) is N-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide is CCN(Cc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)C=Cc2ccccc2)CC1.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide?
The InChIKey is RFGYDWQCFIQVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3S/c1-2-25(18-20-9-6-10-22(24)17-20)23(27)21-11-14-26(15-12-21)30(28,29)16-13-19-7-4-3-5-8-19/h3-10,13,16-17,21H,2,11-12,14-15,18H2,1H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 91941986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).