benzotriazol-1-yl-[1-(3-chlorophenyl)piperidin-4-yl]methanone

C18H17ClN4O — CID 17152960

IUPACbenzotriazol-1-yl-[1-(3-chlorophenyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cccc(Cl)c2)CC1)n1nnc2ccccc21
InChIInChI=1S/C18H17ClN4O/c19-14-4-3-5-15(12-14)22-10-8-13(9-11-22)18(24)23-17-7-2-1-6-16(17)20-21-23/h1-7,12-13H,8-11H2
InChIKeyLAOUUIRBWUVVKR-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.64
Rot. Bonds2

About benzotriazol-1-yl-[1-(3-chlorophenyl)piperidin-4-yl]methanone

benzotriazol-1-yl-[1-(3-chlorophenyl)piperidin-4-yl]methanone (PubChem CID 17152960) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is benzotriazol-1-yl-[1-(3-chlorophenyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-[1-(3-chlorophenyl)piperidin-4-yl]methanone
PubChem CID17152960
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Namebenzotriazol-1-yl-[1-(3-chlorophenyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(c2cccc(Cl)c2)CC1)n1nnc2ccccc21
InChIInChI=1S/C18H17ClN4O/c19-14-4-3-5-15(12-14)22-10-8-13(9-11-22)18(24)23-17-7-2-1-6-16(17)20-21-23/h1-7,12-13H,8-11H2
InChIKeyLAOUUIRBWUVVKR-UHFFFAOYSA-N
XLogP3.64
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzotriazol-1-yl-(4-methylcyclohexyl)methanone
CID 26794170
[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
CID 113005178
[1-(3-chlorophenyl)piperidin-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 17153069
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methanone
CID 121118770
[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 78802038
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144
4-(benzotriazole-1-carbonyl)-1-(3-chloro-4-fluorophenyl)pyrrolidin-2-one
CID 17225382
[1-(2-chlorobenzoyl)piperidin-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 17223304
4-(benzotriazole-1-carbonyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 17120583
[4-(3-chlorophenyl)piperazin-1-yl]-[1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 20951988
[4-(3-chlorophenyl)piperazin-1-yl]-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone
CID 124793734
N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152865

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-[1-(3-chlorophenyl)piperidin-4-yl]methanone?
The IUPAC name of benzotriazol-1-yl-[1-(3-chlorophenyl)piperidin-4-yl]methanone (CID 17152960) is benzotriazol-1-yl-[1-(3-chlorophenyl)piperidin-4-yl]methanone.
What is the SMILES notation for benzotriazol-1-yl-[1-(3-chlorophenyl)piperidin-4-yl]methanone?
The canonical SMILES for benzotriazol-1-yl-[1-(3-chlorophenyl)piperidin-4-yl]methanone is O=C(C1CCN(c2cccc(Cl)c2)CC1)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl-[1-(3-chlorophenyl)piperidin-4-yl]methanone?
The InChIKey is LAOUUIRBWUVVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-14-4-3-5-15(12-14)22-10-8-13(9-11-22)18(24)23-17-7-2-1-6-16(17)20-21-23/h1-7,12-13H,8-11H2.
What are the key properties of benzotriazol-1-yl-[1-(3-chlorophenyl)piperidin-4-yl]methanone?
benzotriazol-1-yl-[1-(3-chlorophenyl)piperidin-4-yl]methanone has a molecular weight of 340.81 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-[1-(3-chlorophenyl)piperidin-4-yl]methanone is sourced from PubChem (CID 17152960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).