N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

C19H23N5O2 — CID 38797292

IUPACN-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)C2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C19H23N5O2/c1-14(25)23-17-4-2-15(3-5-17)12-22-19(26)16-6-10-24(11-7-16)18-13-20-8-9-21-18/h2-5,8-9,13,16H,6-7,10-12H2,1H3,(H,22,26)(H,23,25)
InChIKeyYVAPKQXHENLFBW-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.97
Rot. Bonds5

About N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 38797292) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID38797292
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)C2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C19H23N5O2/c1-14(25)23-17-4-2-15(3-5-17)12-22-19(26)16-6-10-24(11-7-16)18-13-20-8-9-21-18/h2-5,8-9,13,16H,6-7,10-12H2,1H3,(H,22,26)(H,23,25)
InChIKeyYVAPKQXHENLFBW-UHFFFAOYSA-N
XLogP1.97
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222630
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134053537
N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134007284
1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 38793437
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38792432
N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 136578446
1-pyrazin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 23609091
N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797507
N-[2-(4-aminophenyl)ethyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 119549612
(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 60515935
3-[4-(hydroxymethyl)phenyl]-1-methyl-1-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 170788464

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 38797292) is N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is CC(=O)Nc1ccc(CNC(=O)C2CCN(c3cnccn3)CC2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is YVAPKQXHENLFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14(25)23-17-4-2-15(3-5-17)12-22-19(26)16-6-10-24(11-7-16)18-13-20-8-9-21-18/h2-5,8-9,13,16H,6-7,10-12H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 38797292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).