N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxypiperidine-1-carboxamide

C20H23FN2O2S — CID 72904270

IUPACN-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxypiperidine-1-carboxamide
SMILESCOC1CCCN(C(=O)Nc2ccccc2SCc2ccccc2F)C1
InChIInChI=1S/C20H23FN2O2S/c1-25-16-8-6-12-23(13-16)20(24)22-18-10-4-5-11-19(18)26-14-15-7-2-3-9-17(15)21/h2-5,7,9-11,16H,6,8,12-14H2,1H3,(H,22,24)
InChIKeyIYEJTONBVXSWTK-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.76
Rot. Bonds5

About N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxypiperidine-1-carboxamide

N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxypiperidine-1-carboxamide (PubChem CID 72904270) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxypiperidine-1-carboxamide
PubChem CID72904270
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC NameN-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxypiperidine-1-carboxamide
SMILESCOC1CCCN(C(=O)Nc2ccccc2SCc2ccccc2F)C1
InChIInChI=1S/C20H23FN2O2S/c1-25-16-8-6-12-23(13-16)20(24)22-18-10-4-5-11-19(18)26-14-15-7-2-3-9-17(15)21/h2-5,7,9-11,16H,6,8,12-14H2,1H3,(H,22,24)
InChIKeyIYEJTONBVXSWTK-UHFFFAOYSA-N
XLogP4.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 102963077
N-(4-fluoro-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 118763399
(3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 93223962
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
(3S)-3-methyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-1-carboxamide
CID 51945551
N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257527
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
(3S)-N-(2-ethylsulfanylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 95326985
(3R)-N-(2-methylsulfanylphenyl)-3-(2-phenylacetyl)piperidine-1-carboxamide
CID 95709749
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid
CID 102962888
1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
CID 136523280
(4S)-4-amino-N-[2-[(4-methylphenyl)methylsulfanyl]phenyl]azepane-1-carboxamide
CID 125173543

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxypiperidine-1-carboxamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxypiperidine-1-carboxamide (CID 72904270) is N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxypiperidine-1-carboxamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxypiperidine-1-carboxamide is COC1CCCN(C(=O)Nc2ccccc2SCc2ccccc2F)C1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxypiperidine-1-carboxamide?
The InChIKey is IYEJTONBVXSWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c1-25-16-8-6-12-23(13-16)20(24)22-18-10-4-5-11-19(18)26-14-15-7-2-3-9-17(15)21/h2-5,7,9-11,16H,6,8,12-14H2,1H3,(H,22,24).
What are the key properties of N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxypiperidine-1-carboxamide?
N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxypiperidine-1-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-3-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 72904270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).