4-ethyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide

C20H26N4O2 — CID 124960899

IUPAC4-ethyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide
SMILESCCc1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3cnccn3)C2)cc1
InChIInChI=1S/C20H26N4O2/c1-3-16-5-7-17(8-6-16)19(25)23(2)14-20(26)9-4-12-24(15-20)18-13-21-10-11-22-18/h5-8,10-11,13,26H,3-4,9,12,14-15H2,1-2H3/t20-/m0/s1
InChIKeyGXTAOKQSAWFFFB-FQEVSTJZSA-N
MW354.45 g/mol
LogP2.14
Rot. Bonds5

About 4-ethyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide

4-ethyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide (PubChem CID 124960899) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-ethyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-ethyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide
PubChem CID124960899
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-ethyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide
SMILESCCc1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3cnccn3)C2)cc1
InChIInChI=1S/C20H26N4O2/c1-3-16-5-7-17(8-6-16)19(25)23(2)14-20(26)9-4-12-24(15-20)18-13-21-10-11-22-18/h5-8,10-11,13,26H,3-4,9,12,14-15H2,1-2H3/t20-/m0/s1
InChIKeyGXTAOKQSAWFFFB-FQEVSTJZSA-N
XLogP2.14
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-4-(pyrrolidin-1-ylmethyl)benzamide
CID 124983427
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-5-carboxamide
CID 110123469
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,2-dimethylpyrimidine-5-carboxamide
CID 110123575
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 124958674
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide
CID 124963098
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide
CID 124984347
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 110123503
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-4-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 124960766
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N,2-dimethylpyrazole-3-carboxamide
CID 124973541
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 124943218
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 124943217
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 124991776

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide?
The IUPAC name of 4-ethyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide (CID 124960899) is 4-ethyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-ethyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 4-ethyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide is CCc1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3cnccn3)C2)cc1.
What is the InChIKey of 4-ethyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide?
The InChIKey is GXTAOKQSAWFFFB-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-16-5-7-17(8-6-16)19(25)23(2)14-20(26)9-4-12-24(15-20)18-13-21-10-11-22-18/h5-8,10-11,13,26H,3-4,9,12,14-15H2,1-2H3/t20-/m0/s1.
What are the key properties of 4-ethyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide?
4-ethyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 124960899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).