methyl 2-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate

C15H21FN2O4S — CID 137469744

IUPACmethyl 2-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(NS(C)(=O)=O)C1Cc1cccc(F)c1
InChIInChI=1S/C15H21FN2O4S/c1-22-15(19)18-8-4-7-13(17-23(2,20)21)14(18)10-11-5-3-6-12(16)9-11/h3,5-6,9,13-14,17H,4,7-8,10H2,1-2H3
InChIKeyRPIOROKNDGJNHN-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.52
Rot. Bonds4

About methyl 2-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate

methyl 2-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate (PubChem CID 137469744) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl 2-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate
PubChem CID137469744
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC Namemethyl 2-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(NS(C)(=O)=O)C1Cc1cccc(F)c1
InChIInChI=1S/C15H21FN2O4S/c1-22-15(19)18-8-4-7-13(17-23(2,20)21)14(18)10-11-5-3-6-12(16)9-11/h3,5-6,9,13-14,17H,4,7-8,10H2,1-2H3
InChIKeyRPIOROKNDGJNHN-UHFFFAOYSA-N
XLogP1.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3S)-2-[(3-iodophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate
CID 137460970
methyl 3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxylate
CID 137461118
methyl (2R,3R)-3-(methanesulfonamido)-2-[(3-pyridin-4-ylphenyl)methyl]piperidine-1-carboxylate
CID 137461805
methyl 3-(methanesulfonamido)-2-[[3-(2-methylphenyl)phenyl]methyl]piperidine-1-carboxylate
CID 137462140
(2S,3S)-N-ethyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 137461333
2-methoxyethyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137460911
methyl 2-[(2-fluoro-3-phenylphenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate
CID 137460984
phenyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461708
cyclopropyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461302
2,2-difluoroethyl (2S,3S)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137462199
2,2,2-trifluoroethyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461560
cyclohexyl (2R,3R)-3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137460644

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate?
The IUPAC name of methyl 2-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate (CID 137469744) is methyl 2-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate?
The canonical SMILES for methyl 2-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate is COC(=O)N1CCCC(NS(C)(=O)=O)C1Cc1cccc(F)c1.
What is the InChIKey of methyl 2-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate?
The InChIKey is RPIOROKNDGJNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c1-22-15(19)18-8-4-7-13(17-23(2,20)21)14(18)10-11-5-3-6-12(16)9-11/h3,5-6,9,13-14,17H,4,7-8,10H2,1-2H3.
What are the key properties of methyl 2-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate?
methyl 2-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-fluorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxylate is sourced from PubChem (CID 137469744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).