1-[(2-fluorophenyl)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide

C23H29FN2O3S — CID 94014212

IUPAC1-[(2-fluorophenyl)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
SMILESCC[C@@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H29FN2O3S/c1-3-22(17-8-10-20(11-9-17)30(2,28)29)25-23(27)18-12-14-26(15-13-18)16-19-6-4-5-7-21(19)24/h4-11,18,22H,3,12-16H2,1-2H3,(H,25,27)/t22-/m1/s1
InChIKeyTXCANIUBIGTSAX-JOCHJYFZSA-N
MW432.56 g/mol
LogP3.71
Rot. Bonds7

About 1-[(2-fluorophenyl)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide

1-[(2-fluorophenyl)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide (PubChem CID 94014212) has the molecular formula C23H29FN2O3S and a molecular weight of 432.56 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
PubChem CID94014212
Molecular FormulaC23H29FN2O3S
Molecular Weight432.56 g/mol
Exact Mass432.19
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
SMILESCC[C@@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H29FN2O3S/c1-3-22(17-8-10-20(11-9-17)30(2,28)29)25-23(27)18-12-14-26(15-13-18)16-19-6-4-5-7-21(19)24/h4-11,18,22H,3,12-16H2,1-2H3,(H,25,27)/t22-/m1/s1
InChIKeyTXCANIUBIGTSAX-JOCHJYFZSA-N
XLogP3.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chlorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
CID 46766881
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]piperidine-4-carboxamide
CID 100686841
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide
CID 43928184
1-[(2-fluorophenyl)methylsulfonyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 133165622
2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(4-methylsulfonylphenyl)propyl]acetamide
CID 132660181
N-[1-(3,4-dimethylphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46766706
N-butan-2-yl-1-[[2-(2-fluorophenyl)phenyl]methyl]piperidine-4-carboxamide
CID 134799756
(3S)-1-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide
CID 95118292
(3S)-1-ethylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide
CID 125042948
1-[(4-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024761
1-[(2-fluorophenyl)methyl]-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-4-carboxamide
CID 94013641
1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 133234574

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide (CID 94014212) is 1-[(2-fluorophenyl)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide is CC[C@@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide?
The InChIKey is TXCANIUBIGTSAX-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H29FN2O3S/c1-3-22(17-8-10-20(11-9-17)30(2,28)29)25-23(27)18-12-14-26(15-13-18)16-19-6-4-5-7-21(19)24/h4-11,18,22H,3,12-16H2,1-2H3,(H,25,27)/t22-/m1/s1.
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide has a molecular weight of 432.56 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 94014212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).