2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide

C25H30ClN5O2 — CID 121118372

IUPAC2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
SMILESCCn1c(C2CCN(CC(=O)NCc3ccccc3Cl)CC2)nn(Cc2ccccc2)c1=O
InChIInChI=1S/C25H30ClN5O2/c1-2-30-24(28-31(25(30)33)17-19-8-4-3-5-9-19)20-12-14-29(15-13-20)18-23(32)27-16-21-10-6-7-11-22(21)26/h3-11,20H,2,12-18H2,1H3,(H,27,32)
InChIKeyHOWCNGUBRWTJQY-UHFFFAOYSA-N
MW468.00 g/mol
LogP3.26
Rot. Bonds8

About 2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide

2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 121118372) has the molecular formula C25H30ClN5O2 and a molecular weight of 468.00 g/mol. Its IUPAC name is 2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID121118372
Molecular FormulaC25H30ClN5O2
Molecular Weight468.00 g/mol
Exact Mass467.21
IUPAC Name2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
SMILESCCn1c(C2CCN(CC(=O)NCc3ccccc3Cl)CC2)nn(Cc2ccccc2)c1=O
InChIInChI=1S/C25H30ClN5O2/c1-2-30-24(28-31(25(30)33)17-19-8-4-3-5-9-19)20-12-14-29(15-13-20)18-23(32)27-16-21-10-6-7-11-22(21)26/h3-11,20H,2,12-18H2,1H3,(H,27,32)
InChIKeyHOWCNGUBRWTJQY-UHFFFAOYSA-N
XLogP3.26
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide with MolForge

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Related Compounds

2-benzyl-5-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-one
CID 121118255
ethyl 2-[[2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]acetate
CID 121118349
N-(4-acetamidophenyl)-2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 121118332
4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
CID 121115629
2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(4-cyanophenyl)acetamide
CID 121118302
2-benzyl-5-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-one
CID 121118259
2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 121118284
2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetonitrile
CID 121118245
2-[2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 121115542
2-benzyl-5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-ethyl-1,2,4-triazol-3-one
CID 121115397
4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 121115636
2-benzyl-4-ethyl-5-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115552

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide (CID 121118372) is 2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide is CCn1c(C2CCN(CC(=O)NCc3ccccc3Cl)CC2)nn(Cc2ccccc2)c1=O.
What is the InChIKey of 2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is HOWCNGUBRWTJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2/c1-2-30-24(28-31(25(30)33)17-19-8-4-3-5-9-19)20-12-14-29(15-13-20)18-23(32)27-16-21-10-6-7-11-22(21)26/h3-11,20H,2,12-18H2,1H3,(H,27,32).
What are the key properties of 2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide?
2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 468.00 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 121118372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).