(2S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide

C15H20F2N2O2 — CID 99928674

IUPAC(2S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCCN1Cc1c(OC)ccc(F)c1F
InChIInChI=1S/C15H20F2N2O2/c1-18-15(20)12-5-3-4-8-19(12)9-10-13(21-2)7-6-11(16)14(10)17/h6-7,12H,3-5,8-9H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyACQJHFORRRWLIG-LBPRGKRZSA-N
MW298.33 g/mol
LogP2.07
Rot. Bonds4

About (2S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide

(2S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 99928674) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is (2S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID99928674
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name(2S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCCN1Cc1c(OC)ccc(F)c1F
InChIInChI=1S/C15H20F2N2O2/c1-18-15(20)12-5-3-4-8-19(12)9-10-13(21-2)7-6-11(16)14(10)17/h6-7,12H,3-5,8-9H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyACQJHFORRRWLIG-LBPRGKRZSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluoro-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 112616195
1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978861
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
1-[(3-carbamothioyl-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 107115446
(2R)-1-[(4-methoxy-2-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide
CID 124750616
(3,3-difluoroazetidin-1-yl)-[1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-2-yl]methanone
CID 123271994
1-[(2-cyano-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103760645
methyl 1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylate
CID 113219671
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
CID 62035887
1-[(3-bromo-5-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 79673021
(2S)-1-[2-(3,5-dichlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide
CID 97062239

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide (CID 99928674) is (2S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide is CNC(=O)[C@@H]1CCCCN1Cc1c(OC)ccc(F)c1F.
What is the InChIKey of (2S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is ACQJHFORRRWLIG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-18-15(20)12-5-3-4-8-19(12)9-10-13(21-2)7-6-11(16)14(10)17/h6-7,12H,3-5,8-9H2,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide?
(2S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 298.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 99928674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).