2-[4-[(3-chlorophenyl)methyl]triazol-1-yl]-N-piperidin-4-ylacetamide

C16H20ClN5O — CID 167753873

IUPAC2-[4-[(3-chlorophenyl)methyl]triazol-1-yl]-N-piperidin-4-ylacetamide
SMILESO=C(Cn1cc(Cc2cccc(Cl)c2)nn1)NC1CCNCC1
InChIInChI=1S/C16H20ClN5O/c17-13-3-1-2-12(8-13)9-15-10-22(21-20-15)11-16(23)19-14-4-6-18-7-5-14/h1-3,8,10,14,18H,4-7,9,11H2,(H,19,23)
InChIKeyKLSOABQVUOLIMJ-UHFFFAOYSA-N
MW333.82 g/mol
LogP1.39
Rot. Bonds5

About 2-[4-[(3-chlorophenyl)methyl]triazol-1-yl]-N-piperidin-4-ylacetamide

2-[4-[(3-chlorophenyl)methyl]triazol-1-yl]-N-piperidin-4-ylacetamide (PubChem CID 167753873) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-[4-[(3-chlorophenyl)methyl]triazol-1-yl]-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-[4-[(3-chlorophenyl)methyl]triazol-1-yl]-N-piperidin-4-ylacetamide
PubChem CID167753873
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name2-[4-[(3-chlorophenyl)methyl]triazol-1-yl]-N-piperidin-4-ylacetamide
SMILESO=C(Cn1cc(Cc2cccc(Cl)c2)nn1)NC1CCNCC1
InChIInChI=1S/C16H20ClN5O/c17-13-3-1-2-12(8-13)9-15-10-22(21-20-15)11-16(23)19-14-4-6-18-7-5-14/h1-3,8,10,14,18H,4-7,9,11H2,(H,19,23)
InChIKeyKLSOABQVUOLIMJ-UHFFFAOYSA-N
XLogP1.39
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62399790
2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881
1-[(2S,3R,6S)-6-[2-(4-benzyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(3-chlorophenyl)urea
CID 54639026
1-[(2S,3S,6S)-6-[2-(4-benzyltriazol-1-yl)ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(3-chlorophenyl)urea
CID 54639028
N-[[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66193798
2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 62400544
2-phenyl-N-piperidin-4-ylacetamide
CID 1445168
2-[4-(aminomethyl)triazol-1-yl]-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 115459468
1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66290374
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 62504081
N-(4-bromocyclohexyl)-2-(3-chlorophenyl)acetamide
CID 113274232

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chlorophenyl)methyl]triazol-1-yl]-N-piperidin-4-ylacetamide?
The IUPAC name of 2-[4-[(3-chlorophenyl)methyl]triazol-1-yl]-N-piperidin-4-ylacetamide (CID 167753873) is 2-[4-[(3-chlorophenyl)methyl]triazol-1-yl]-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-[4-[(3-chlorophenyl)methyl]triazol-1-yl]-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-[4-[(3-chlorophenyl)methyl]triazol-1-yl]-N-piperidin-4-ylacetamide is O=C(Cn1cc(Cc2cccc(Cl)c2)nn1)NC1CCNCC1.
What is the InChIKey of 2-[4-[(3-chlorophenyl)methyl]triazol-1-yl]-N-piperidin-4-ylacetamide?
The InChIKey is KLSOABQVUOLIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c17-13-3-1-2-12(8-13)9-15-10-22(21-20-15)11-16(23)19-14-4-6-18-7-5-14/h1-3,8,10,14,18H,4-7,9,11H2,(H,19,23).
What are the key properties of 2-[4-[(3-chlorophenyl)methyl]triazol-1-yl]-N-piperidin-4-ylacetamide?
2-[4-[(3-chlorophenyl)methyl]triazol-1-yl]-N-piperidin-4-ylacetamide has a molecular weight of 333.82 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chlorophenyl)methyl]triazol-1-yl]-N-piperidin-4-ylacetamide is sourced from PubChem (CID 167753873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).