1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-butylpiperidine-4-carboxamide

C19H26N4OS — CID 3963425

IUPAC1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-butylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2nc(Cc3ccccc3)ns2)CC1
InChIInChI=1S/C19H26N4OS/c1-2-3-11-20-18(24)16-9-12-23(13-10-16)19-21-17(22-25-19)14-15-7-5-4-6-8-15/h4-8,16H,2-3,9-14H2,1H3,(H,20,24)
InChIKeyGDMYHBTZAPGTFF-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.26
Rot. Bonds7

About 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-butylpiperidine-4-carboxamide

1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-butylpiperidine-4-carboxamide (PubChem CID 3963425) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-butylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-butylpiperidine-4-carboxamide
PubChem CID3963425
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-butylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2nc(Cc3ccccc3)ns2)CC1
InChIInChI=1S/C19H26N4OS/c1-2-3-11-20-18(24)16-9-12-23(13-10-16)19-21-17(22-25-19)14-15-7-5-4-6-8-15/h4-8,16H,2-3,9-14H2,1H3,(H,20,24)
InChIKeyGDMYHBTZAPGTFF-UHFFFAOYSA-N
XLogP3.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-pentylpiperidine-3-carboxamide
CID 7499362
(2S)-1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-butylpyrrolidine-2-carboxamide
CID 7296377
1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-propylpiperidine-3-carboxamide
CID 4552243
N-(3-methylbutyl)-1-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide
CID 3944044
1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-hexylpiperidine-3-carboxamide
CID 5131032
1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 5155000
N-butyl-1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide
CID 4611709
N-[2-[4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]cyclopentanecarboxamide
CID 3936527
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxamide
CID 3916924
1-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidine-4-carboxylic acid
CID 5243333
1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 811252
(3R)-1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-[(2S)-3-methylbutan-2-yl]piperidine-3-carboxamide
CID 7397492

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-butylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-butylpiperidine-4-carboxamide (CID 3963425) is 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-butylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-butylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-butylpiperidine-4-carboxamide is CCCCNC(=O)C1CCN(c2nc(Cc3ccccc3)ns2)CC1.
What is the InChIKey of 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-butylpiperidine-4-carboxamide?
The InChIKey is GDMYHBTZAPGTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-2-3-11-20-18(24)16-9-12-23(13-10-16)19-21-17(22-25-19)14-15-7-5-4-6-8-15/h4-8,16H,2-3,9-14H2,1H3,(H,20,24).
What are the key properties of 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-butylpiperidine-4-carboxamide?
1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-butylpiperidine-4-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-butylpiperidine-4-carboxamide is sourced from PubChem (CID 3963425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).