(3S)-1-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylpiperidine-3-carboxamide

C19H22F2N4O2 — CID 163854225

IUPAC(3S)-1-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCCN(Cc2cnc(Oc3ccc(F)cc3F)cn2)C1
InChIInChI=1S/C19H22F2N4O2/c1-2-22-19(26)13-4-3-7-25(11-13)12-15-9-24-18(10-23-15)27-17-6-5-14(20)8-16(17)21/h5-6,8-10,13H,2-4,7,11-12H2,1H3,(H,22,26)/t13-/m0/s1
InChIKeyOWYDAZAIWPIHKJ-ZDUSSCGKSA-N
MW376.41 g/mol
LogP2.90
Rot. Bonds6

About (3S)-1-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylpiperidine-3-carboxamide

(3S)-1-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylpiperidine-3-carboxamide (PubChem CID 163854225) has the molecular formula C19H22F2N4O2 and a molecular weight of 376.41 g/mol. Its IUPAC name is (3S)-1-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylpiperidine-3-carboxamide
PubChem CID163854225
Molecular FormulaC19H22F2N4O2
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Name(3S)-1-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CCCN(Cc2cnc(Oc3ccc(F)cc3F)cn2)C1
InChIInChI=1S/C19H22F2N4O2/c1-2-22-19(26)13-4-3-7-25(11-13)12-15-9-24-18(10-23-15)27-17-6-5-14(20)8-16(17)21/h5-6,8-10,13H,2-4,7,11-12H2,1H3,(H,22,26)/t13-/m0/s1
InChIKeyOWYDAZAIWPIHKJ-ZDUSSCGKSA-N
XLogP2.90
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide
CID 95200429
(3S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide
CID 95200428
N-ethyl-1-[3-(4-fluorophenyl)-3-oxopropyl]piperidine-3-carboxamide
CID 75472604
N-ethyl-1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 56785604
(3R)-1-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94819145
N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43919730
(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46774647
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 103194899
ethyl (3R)-1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763743
ethyl (3S)-1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763740
N-(2,4-difluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43923132

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylpiperidine-3-carboxamide (CID 163854225) is (3S)-1-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylpiperidine-3-carboxamide is CCNC(=O)[C@H]1CCCN(Cc2cnc(Oc3ccc(F)cc3F)cn2)C1.
What is the InChIKey of (3S)-1-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylpiperidine-3-carboxamide?
The InChIKey is OWYDAZAIWPIHKJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22F2N4O2/c1-2-22-19(26)13-4-3-7-25(11-13)12-15-9-24-18(10-23-15)27-17-6-5-14(20)8-16(17)21/h5-6,8-10,13H,2-4,7,11-12H2,1H3,(H,22,26)/t13-/m0/s1.
What are the key properties of (3S)-1-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylpiperidine-3-carboxamide?
(3S)-1-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylpiperidine-3-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 163854225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).