N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-fluoro-3-methylpiperidine-1-carboxamide

C17H25FN2O3 — CID 138011726

IUPACN-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-fluoro-3-methylpiperidine-1-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)N2CCCC(C)(F)C2)c(OC)c1
InChIInChI=1S/C17H25FN2O3/c1-12(14-7-6-13(22-3)10-15(14)23-4)19-16(21)20-9-5-8-17(2,18)11-20/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,19,21)/t12-,17?/m1/s1
InChIKeyMJLPTNNPFIQBSN-MTATWXBHSA-N
MW324.40 g/mol
LogP3.30
Rot. Bonds4

About N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-fluoro-3-methylpiperidine-1-carboxamide

N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-fluoro-3-methylpiperidine-1-carboxamide (PubChem CID 138011726) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-fluoro-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-fluoro-3-methylpiperidine-1-carboxamide
PubChem CID138011726
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC NameN-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-fluoro-3-methylpiperidine-1-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)N2CCCC(C)(F)C2)c(OC)c1
InChIInChI=1S/C17H25FN2O3/c1-12(14-7-6-13(22-3)10-15(14)23-4)19-16(21)20-9-5-8-17(2,18)11-20/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,19,21)/t12-,17?/m1/s1
InChIKeyMJLPTNNPFIQBSN-MTATWXBHSA-N
XLogP3.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-fluoro-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-fluoro-3-methylpiperidine-1-carboxamide (CID 138011726) is N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-fluoro-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-fluoro-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-fluoro-3-methylpiperidine-1-carboxamide is COc1ccc([C@@H](C)NC(=O)N2CCCC(C)(F)C2)c(OC)c1.
What is the InChIKey of N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-fluoro-3-methylpiperidine-1-carboxamide?
The InChIKey is MJLPTNNPFIQBSN-MTATWXBHSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-12(14-7-6-13(22-3)10-15(14)23-4)19-16(21)20-9-5-8-17(2,18)11-20/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,19,21)/t12-,17?/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-fluoro-3-methylpiperidine-1-carboxamide?
N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-fluoro-3-methylpiperidine-1-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-fluoro-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 138011726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).