(2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide

C15H20F2N2O2 — CID 120629345

IUPAC(2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCc2cccc(OC(F)F)c2)CCN1
InChIInChI=1S/C15H20F2N2O2/c1-10-7-12(5-6-18-10)14(20)19-9-11-3-2-4-13(8-11)21-15(16)17/h2-4,8,10,12,15,18H,5-7,9H2,1H3,(H,19,20)/t10-,12-/m0/s1
InChIKeyKESJMZUTVHQQHC-JQWIXIFHSA-N
MW298.33 g/mol
LogP2.29
Rot. Bonds5

About (2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120629345) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is (2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide
PubChem CID120629345
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name(2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCc2cccc(OC(F)F)c2)CCN1
InChIInChI=1S/C15H20F2N2O2/c1-10-7-12(5-6-18-10)14(20)19-9-11-3-2-4-13(8-11)21-15(16)17/h2-4,8,10,12,15,18H,5-7,9H2,1H3,(H,19,20)/t10-,12-/m0/s1
InChIKeyKESJMZUTVHQQHC-JQWIXIFHSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide
CID 120625841
N-[[3-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119763033
(2S,4S)-N-[(3-butoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621207
(2S,4S)-N-[[3-(3-methoxypropoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120639826
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
(2S,4S)-N-[3-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120620400
(2S,4S)-2-methyl-N-[[3-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120630059
(2S,4S)-2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120639790
(2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120638174
(2S,4S)-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620915
(2S,4S)-N-[(3-fluoro-5-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120641011

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide (CID 120629345) is (2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NCc2cccc(OC(F)F)c2)CCN1.
What is the InChIKey of (2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is KESJMZUTVHQQHC-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-10-7-12(5-6-18-10)14(20)19-9-11-3-2-4-13(8-11)21-15(16)17/h2-4,8,10,12,15,18H,5-7,9H2,1H3,(H,19,20)/t10-,12-/m0/s1.
What are the key properties of (2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 298.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[[3-(difluoromethoxy)phenyl]methyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120629345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).