1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide

C15H26N4OS — CID 127264806

IUPAC1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(Cc2nnc(C)s2)C1
InChIInChI=1S/C15H26N4OS/c1-4-6-11(2)16-15(20)13-7-5-8-19(9-13)10-14-18-17-12(3)21-14/h11,13H,4-10H2,1-3H3,(H,16,20)
InChIKeyFZFVWJSWYZWVOY-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.36
Rot. Bonds6

About 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide

1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide (PubChem CID 127264806) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
PubChem CID127264806
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
SMILESCCCC(C)NC(=O)C1CCCN(Cc2nnc(C)s2)C1
InChIInChI=1S/C15H26N4OS/c1-4-6-11(2)16-15(20)13-7-5-8-19(9-13)10-14-18-17-12(3)21-14/h11,13H,4-10H2,1-3H3,(H,16,20)
InChIKeyFZFVWJSWYZWVOY-UHFFFAOYSA-N
XLogP2.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(4-chlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94008875
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 93492247
1-[(3,4-dichlorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924672
(3S)-N-[(2S)-pentan-2-yl]-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 94378643
1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924676
2-methyl-5-[[(3R)-3-propoxypiperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 125163722
(3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94378672
(3R)-1-(2,2-diethoxyethyl)-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 97307433
1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 51129252
(3S)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1-propanoylpiperidine-3-carboxamide
CID 97273284
1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49444073
(3S)-1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 94378651

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide (CID 127264806) is 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide is CCCC(C)NC(=O)C1CCCN(Cc2nnc(C)s2)C1.
What is the InChIKey of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide?
The InChIKey is FZFVWJSWYZWVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-4-6-11(2)16-15(20)13-7-5-8-19(9-13)10-14-18-17-12(3)21-14/h11,13H,4-10H2,1-3H3,(H,16,20).
What are the key properties of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide?
1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide has a molecular weight of 310.47 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 127264806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).