(4-benzylpiperidin-1-yl)-[4-(4-methylphenyl)thiadiazol-5-yl]methanone

C22H23N3OS — CID 100748960

IUPAC(4-benzylpiperidin-1-yl)-[4-(4-methylphenyl)thiadiazol-5-yl]methanone
SMILESCc1ccc(-c2nnsc2C(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H23N3OS/c1-16-7-9-19(10-8-16)20-21(27-24-23-20)22(26)25-13-11-18(12-14-25)15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3
InChIKeyKMKLADKJWKEFRY-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.61
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-[4-(4-methylphenyl)thiadiazol-5-yl]methanone

(4-benzylpiperidin-1-yl)-[4-(4-methylphenyl)thiadiazol-5-yl]methanone (PubChem CID 100748960) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[4-(4-methylphenyl)thiadiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[4-(4-methylphenyl)thiadiazol-5-yl]methanone
PubChem CID100748960
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name(4-benzylpiperidin-1-yl)-[4-(4-methylphenyl)thiadiazol-5-yl]methanone
SMILESCc1ccc(-c2nnsc2C(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H23N3OS/c1-16-7-9-19(10-8-16)20-21(27-24-23-20)22(26)25-13-11-18(12-14-25)15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3
InChIKeyKMKLADKJWKEFRY-UHFFFAOYSA-N
XLogP4.61
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzylpiperidin-1-yl)-[4-(4-methylphenyl)thiadiazol-5-yl]methanone 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

(4-benzylpiperazin-1-yl)-(4-phenylthiadiazol-5-yl)methanone
CID 100745674
(4-benzylpiperidin-1-yl)-(6-methyl-3-phenylcinnolin-4-yl)methanone
CID 46288120
N-[5-(4-benzylpiperidine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 16944785
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone
CID 68628444
1-(4-benzylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 7465704
(4-benzylpiperidin-1-yl)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone
CID 110855772
2-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-(4-methylphenyl)phthalazin-1-one
CID 2001510
N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide
CID 577225
[4-(4-bromophenyl)thiadiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 100751023
(4-benzylpiperidin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]methanone
CID 22523470
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[4-(4-methylphenyl)thiadiazol-5-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[4-(4-methylphenyl)thiadiazol-5-yl]methanone (CID 100748960) is (4-benzylpiperidin-1-yl)-[4-(4-methylphenyl)thiadiazol-5-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[4-(4-methylphenyl)thiadiazol-5-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[4-(4-methylphenyl)thiadiazol-5-yl]methanone is Cc1ccc(-c2nnsc2C(=O)N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[4-(4-methylphenyl)thiadiazol-5-yl]methanone?
The InChIKey is KMKLADKJWKEFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-16-7-9-19(10-8-16)20-21(27-24-23-20)22(26)25-13-11-18(12-14-25)15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[4-(4-methylphenyl)thiadiazol-5-yl]methanone?
(4-benzylpiperidin-1-yl)-[4-(4-methylphenyl)thiadiazol-5-yl]methanone has a molecular weight of 377.51 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[4-(4-methylphenyl)thiadiazol-5-yl]methanone is sourced from PubChem (CID 100748960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).