1-(4-benzylpiperidin-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxyethanone

C20H21ClN4O2 — CID 7696725

IUPAC1-(4-benzylpiperidin-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxyethanone
SMILESO=C(COn1nnc2ccc(Cl)cc21)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H21ClN4O2/c21-17-6-7-18-19(13-17)25(23-22-18)27-14-20(26)24-10-8-16(9-11-24)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2
InChIKeyVEFNJWZZBJRYEW-UHFFFAOYSA-N
MW384.87 g/mol
LogP2.99
Rot. Bonds5

About 1-(4-benzylpiperidin-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxyethanone

1-(4-benzylpiperidin-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxyethanone (PubChem CID 7696725) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxyethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxyethanone
PubChem CID7696725
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxyethanone
SMILESO=C(COn1nnc2ccc(Cl)cc21)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H21ClN4O2/c21-17-6-7-18-19(13-17)25(23-22-18)27-14-20(26)24-10-8-16(9-11-24)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2
InChIKeyVEFNJWZZBJRYEW-UHFFFAOYSA-N
XLogP2.99
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-5-chlorophenyl]urea
CID 11675741
2-(benzotriazol-1-yloxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 22265230
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
CID 2358006
1-(4-benzylpiperidin-1-yl)-2-[2-[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone
CID 21053636
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2388361
(4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone
CID 17250380
1-(4-benzylpiperidin-1-yl)-4-(2,4-dichlorophenoxy)butan-1-one
CID 3428823
1-(4-benzylpiperidin-1-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 112778179
2-(6-chlorobenzotriazol-1-yl)oxy-N-(2-chlorophenyl)acetamide
CID 7696682
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 2714517
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2571742
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 1,3-benzothiazole-2-carboxylate
CID 2338941

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxyethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxyethanone (CID 7696725) is 1-(4-benzylpiperidin-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxyethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxyethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxyethanone is O=C(COn1nnc2ccc(Cl)cc21)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxyethanone?
The InChIKey is VEFNJWZZBJRYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c21-17-6-7-18-19(13-17)25(23-22-18)27-14-20(26)24-10-8-16(9-11-24)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxyethanone?
1-(4-benzylpiperidin-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxyethanone has a molecular weight of 384.87 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxyethanone is sourced from PubChem (CID 7696725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).