1-(2-amino-2-oxoethyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide

C19H26N6O2 — CID 126771493

IUPAC1-(2-amino-2-oxoethyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide
SMILESCC1CCCCN1Cc1ccccc1CNC(=O)c1cn(CC(N)=O)nn1
InChIInChI=1S/C19H26N6O2/c1-14-6-4-5-9-24(14)11-16-8-3-2-7-15(16)10-21-19(27)17-12-25(23-22-17)13-18(20)26/h2-3,7-8,12,14H,4-6,9-11,13H2,1H3,(H2,20,26)(H,21,27)
InChIKeyBWAKTMFEMPUSKT-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.07
Rot. Bonds7

About 1-(2-amino-2-oxoethyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide

1-(2-amino-2-oxoethyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide (PubChem CID 126771493) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide
PubChem CID126771493
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1-(2-amino-2-oxoethyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide
SMILESCC1CCCCN1Cc1ccccc1CNC(=O)c1cn(CC(N)=O)nn1
InChIInChI=1S/C19H26N6O2/c1-14-6-4-5-9-24(14)11-16-8-3-2-7-15(16)10-21-19(27)17-12-25(23-22-17)13-18(20)26/h2-3,7-8,12,14H,4-6,9-11,13H2,1H3,(H2,20,26)(H,21,27)
InChIKeyBWAKTMFEMPUSKT-UHFFFAOYSA-N
XLogP1.07
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-amino-2-oxoethyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide with MolForge

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Related Compounds

N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 55718070
5-ethyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 78875791
methyl 6-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]pyridine-3-carboxylate
CID 78875789
(2R)-2-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119845332
2-(4-aminophenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119845308
2-(2-methoxyphenyl)-N-[[2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947454
4-acetyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 46478370
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112827458
4-amino-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564537
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyrazol-1-ylpropanamide
CID 86990869
2-(3-methoxyphenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961658
N-[[2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-1-oxidopyridin-1-ium-3-carboxamide
CID 51983604

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide (CID 126771493) is 1-(2-amino-2-oxoethyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide is CC1CCCCN1Cc1ccccc1CNC(=O)c1cn(CC(N)=O)nn1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide?
The InChIKey is BWAKTMFEMPUSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-14-6-4-5-9-24(14)11-16-8-3-2-7-15(16)10-21-19(27)17-12-25(23-22-17)13-18(20)26/h2-3,7-8,12,14H,4-6,9-11,13H2,1H3,(H2,20,26)(H,21,27).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide?
1-(2-amino-2-oxoethyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 126771493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).