N-[(4-acetamidophenyl)methyl]-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide

C19H26N6O2 — CID 124757287

IUPACN-[(4-acetamidophenyl)methyl]-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
SMILESCC(=O)Nc1ccc(CNC(=O)CN2CCC[C@H](c3n[nH]c(C)n3)C2)cc1
InChIInChI=1S/C19H26N6O2/c1-13-21-19(24-23-13)16-4-3-9-25(11-16)12-18(27)20-10-15-5-7-17(8-6-15)22-14(2)26/h5-8,16H,3-4,9-12H2,1-2H3,(H,20,27)(H,22,26)(H,21,23,24)/t16-/m0/s1
InChIKeyWBATXHCGYMYRIY-INIZCTEOSA-N
MW370.46 g/mol
LogP1.57
Rot. Bonds6

About N-[(4-acetamidophenyl)methyl]-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide

N-[(4-acetamidophenyl)methyl]-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide (PubChem CID 124757287) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
PubChem CID124757287
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC NameN-[(4-acetamidophenyl)methyl]-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
SMILESCC(=O)Nc1ccc(CNC(=O)CN2CCC[C@H](c3n[nH]c(C)n3)C2)cc1
InChIInChI=1S/C19H26N6O2/c1-13-21-19(24-23-13)16-4-3-9-25(11-16)12-18(27)20-10-15-5-7-17(8-6-15)22-14(2)26/h5-8,16H,3-4,9-12H2,1-2H3,(H,20,27)(H,22,26)(H,21,23,24)/t16-/m0/s1
InChIKeyWBATXHCGYMYRIY-INIZCTEOSA-N
XLogP1.57
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 91828374
N-[(4-acetamidophenyl)methyl]-2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]acetamide
CID 124846288
N-(1-methylpyrazol-3-yl)-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 124752097
2-(3-hydroxypiperidin-1-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 86283968
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 124756426
(3R)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97285122
N-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide
CID 96542307
2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 97004509
N-[(4-acetamidophenyl)methyl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 18154182
N-[(4-acetamidophenyl)methyl]-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]acetamide
CID 91843310
ethyl (3R)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate
CID 8533086
N-[(4-acetamidophenyl)methyl]-2-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)acetamide
CID 91839582

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide (CID 124757287) is N-[(4-acetamidophenyl)methyl]-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide is CC(=O)Nc1ccc(CNC(=O)CN2CCC[C@H](c3n[nH]c(C)n3)C2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The InChIKey is WBATXHCGYMYRIY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-13-21-19(24-23-13)16-4-3-9-25(11-16)12-18(27)20-10-15-5-7-17(8-6-15)22-14(2)26/h5-8,16H,3-4,9-12H2,1-2H3,(H,20,27)(H,22,26)(H,21,23,24)/t16-/m0/s1.
What are the key properties of N-[(4-acetamidophenyl)methyl]-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
N-[(4-acetamidophenyl)methyl]-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide has a molecular weight of 370.46 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 124757287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).