[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone

C18H24ClN5O — CID 119395236

IUPAC[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCCC(CNC)C2)nnn1-c1cccc(Cl)c1
InChIInChI=1S/C18H24ClN5O/c1-3-16-17(18(25)23-9-5-6-13(12-23)11-20-2)21-22-24(16)15-8-4-7-14(19)10-15/h4,7-8,10,13,20H,3,5-6,9,11-12H2,1-2H3
InChIKeyRJIUSPKMLWYPOI-UHFFFAOYSA-N
MW361.88 g/mol
LogP2.55
Rot. Bonds5

About [1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone

[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119395236) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119395236
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC Name[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCCC(CNC)C2)nnn1-c1cccc(Cl)c1
InChIInChI=1S/C18H24ClN5O/c1-3-16-17(18(25)23-9-5-6-13(12-23)11-20-2)21-22-24(16)15-8-4-7-14(19)10-15/h4,7-8,10,13,20H,3,5-6,9,11-12H2,1-2H3
InChIKeyRJIUSPKMLWYPOI-UHFFFAOYSA-N
XLogP2.55
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539873
(3S)-1-[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]pyrrolidine-3-carboxamide
CID 95179936
[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119622015
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489805
[3-(methylaminomethyl)piperidin-1-yl]-[5-methyl-1-(3-nitrophenyl)triazol-4-yl]methanone
CID 119397603
[1-(3-chlorophenyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124684827
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119645711
[5-ethyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119542458
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-chlorophenyl)-5-propyltriazol-4-yl]methanone;hydrochloride
CID 119594219
[1-(3-chlorophenyl)-5-propyltriazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577915
[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487791
1-(3-chlorophenyl)-5-ethyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide
CID 119555457

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone (CID 119395236) is [1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone is CCc1c(C(=O)N2CCCC(CNC)C2)nnn1-c1cccc(Cl)c1.
What is the InChIKey of [1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is RJIUSPKMLWYPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-3-16-17(18(25)23-9-5-6-13(12-23)11-20-2)21-22-24(16)15-8-4-7-14(19)10-15/h4,7-8,10,13,20H,3,5-6,9,11-12H2,1-2H3.
What are the key properties of [1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
[1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 361.88 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-5-ethyltriazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119395236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).