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

C15H20F2N2O2 — CID 103808021

IUPAC(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-2-carboxamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C15H20F2N2O2/c1-19(14(20)13-4-2-3-9-18-13)10-11-5-7-12(8-6-11)21-15(16)17/h5-8,13,15,18H,2-4,9-10H2,1H3/t13-/m0/s1
InChIKeyQRRLNBDXYGNEME-ZDUSSCGKSA-N
MW298.33 g/mol
LogP2.39
Rot. Bonds5

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

(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 103808021) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is (2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-2-carboxamide
PubChem CID103808021
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-2-carboxamide
SMILESCN(Cc1ccc(OC(F)F)cc1)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C15H20F2N2O2/c1-19(14(20)13-4-2-3-9-18-13)10-11-5-7-12(8-6-11)21-15(16)17/h5-8,13,15,18H,2-4,9-10H2,1H3/t13-/m0/s1
InChIKeyQRRLNBDXYGNEME-ZDUSSCGKSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119681881
N-[(4-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54944765
(2S)-N-[(4-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119682587
(2R)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide
CID 93367508
N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119333699
(2R)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 103793972
N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60717507
(2S)-N-[(4-ethylphenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119266906
(2S)-N-[(3,4-difluorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717254
(2R)-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-2-carboxamide
CID 103808154
(2S)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 22691346
(2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119694200

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-2-carboxamide (CID 103808021) is (2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-2-carboxamide is CN(Cc1ccc(OC(F)F)cc1)C(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is QRRLNBDXYGNEME-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-19(14(20)13-4-2-3-9-18-13)10-11-5-7-12(8-6-11)21-15(16)17/h5-8,13,15,18H,2-4,9-10H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-2-carboxamide?
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 298.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 103808021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).