(4-benzylpiperidin-1-yl)-(1-benzyltriazol-4-yl)methanethione

C22H24N4S — CID 1499717

IUPAC(4-benzylpiperidin-1-yl)-(1-benzyltriazol-4-yl)methanethione
SMILESS=C(c1cn(Cc2ccccc2)nn1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4S/c27-22(21-17-26(24-23-21)16-20-9-5-2-6-10-20)25-13-11-19(12-14-25)15-18-7-3-1-4-8-18/h1-10,17,19H,11-16H2
InChIKeyRJJYYYYDPYKTHZ-UHFFFAOYSA-N
MW376.53 g/mol
LogP3.96
Rot. Bonds5

About (4-benzylpiperidin-1-yl)-(1-benzyltriazol-4-yl)methanethione

(4-benzylpiperidin-1-yl)-(1-benzyltriazol-4-yl)methanethione (PubChem CID 1499717) has the molecular formula C22H24N4S and a molecular weight of 376.53 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(1-benzyltriazol-4-yl)methanethione.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(1-benzyltriazol-4-yl)methanethione
PubChem CID1499717
Molecular FormulaC22H24N4S
Molecular Weight376.53 g/mol
Exact Mass376.17
IUPAC Name(4-benzylpiperidin-1-yl)-(1-benzyltriazol-4-yl)methanethione
SMILESS=C(c1cn(Cc2ccccc2)nn1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4S/c27-22(21-17-26(24-23-21)16-20-9-5-2-6-10-20)25-13-11-19(12-14-25)15-18-7-3-1-4-8-18/h1-10,17,19H,11-16H2
InChIKeyRJJYYYYDPYKTHZ-UHFFFAOYSA-N
XLogP3.96
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (4-benzylpiperidin-1-yl)-(1-benzyltriazol-4-yl)methanethione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545055
(1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 71931378
(1-benzyltriazol-4-yl)-cyclohexylmethanone
CID 71763813
(1-benzyltriazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119623754
1-benzyltriazole-4-carbonyl chloride
CID 87720228
(1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110886791
(1-benzyltriazol-4-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone
CID 95627873
1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide
CID 36706465
(1-benzyltriazol-4-yl)-piperazin-1-ylmethanone
CID 119402143
[4-(benzenesulfonyl)piperazin-1-yl]-(1-benzyltriazol-4-yl)methanone
CID 31769999
methyl 1-[2-(1-benzyltriazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 55640680
4-benzyl-N-(3,4-dichlorophenyl)piperidine-1-carbothioamide
CID 3383275

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(1-benzyltriazol-4-yl)methanethione?
The IUPAC name of (4-benzylpiperidin-1-yl)-(1-benzyltriazol-4-yl)methanethione (CID 1499717) is (4-benzylpiperidin-1-yl)-(1-benzyltriazol-4-yl)methanethione.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(1-benzyltriazol-4-yl)methanethione?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(1-benzyltriazol-4-yl)methanethione is S=C(c1cn(Cc2ccccc2)nn1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(1-benzyltriazol-4-yl)methanethione?
The InChIKey is RJJYYYYDPYKTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4S/c27-22(21-17-26(24-23-21)16-20-9-5-2-6-10-20)25-13-11-19(12-14-25)15-18-7-3-1-4-8-18/h1-10,17,19H,11-16H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(1-benzyltriazol-4-yl)methanethione?
(4-benzylpiperidin-1-yl)-(1-benzyltriazol-4-yl)methanethione has a molecular weight of 376.53 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(1-benzyltriazol-4-yl)methanethione is sourced from PubChem (CID 1499717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).