2-(benzotriazol-1-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide

C19H20ClN5O — CID 134013479

IUPAC2-(benzotriazol-1-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C19H20ClN5O/c20-14-8-9-17(24-10-4-1-5-11-24)16(12-14)21-19(26)13-25-18-7-3-2-6-15(18)22-23-25/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,21,26)
InChIKeyFYLKZORCNGGKPJ-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.71
Rot. Bonds4

About 2-(benzotriazol-1-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide

2-(benzotriazol-1-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide (PubChem CID 134013479) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide
PubChem CID134013479
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name2-(benzotriazol-1-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C19H20ClN5O/c20-14-8-9-17(24-10-4-1-5-11-24)16(12-14)21-19(26)13-25-18-7-3-2-6-15(18)22-23-25/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,21,26)
InChIKeyFYLKZORCNGGKPJ-UHFFFAOYSA-N
XLogP3.71
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide
CID 17421387
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(benzotriazol-1-yl)acetamide
CID 17415444
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide
CID 7406867
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 17459535
2-(benzenesulfonyl)-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide
CID 3917226
4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide
CID 119829370
N-(5-chloro-2-piperidin-1-ylphenyl)-2-phenylmethoxyacetamide
CID 55360085
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23964451
2-(benzotriazol-1-yl)-N-[(Z)-(5-piperidin-1-ylthiophen-2-yl)methylideneamino]acetamide
CID 8975880
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide
CID 47108337
2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 10379321
2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 856334

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide (CID 134013479) is 2-(benzotriazol-1-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide is O=C(Cn1nnc2ccccc21)Nc1cc(Cl)ccc1N1CCCCC1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide?
The InChIKey is FYLKZORCNGGKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c20-14-8-9-17(24-10-4-1-5-11-24)16(12-14)21-19(26)13-25-18-7-3-2-6-15(18)22-23-25/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,21,26).
What are the key properties of 2-(benzotriazol-1-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide?
2-(benzotriazol-1-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide has a molecular weight of 369.86 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 134013479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).