1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide

C14H24N6OS — CID 119853614

IUPAC1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCN1CCSCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H24N6OS/c21-14(16-5-6-19-7-9-22-10-8-19)13-11-20(18-17-13)12-1-3-15-4-2-12/h11-12,15H,1-10H2,(H,16,21)
InChIKeyNBDJDVWGZFJZFD-UHFFFAOYSA-N
MW324.45 g/mol
LogP-0.02
Rot. Bonds5

About 1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide

1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide (PubChem CID 119853614) has the molecular formula C14H24N6OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide
PubChem CID119853614
Molecular FormulaC14H24N6OS
Molecular Weight324.45 g/mol
Exact Mass324.17
IUPAC Name1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCN1CCSCC1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H24N6OS/c21-14(16-5-6-19-7-9-22-10-8-19)13-11-20(18-17-13)12-1-3-15-4-2-12/h11-12,15H,1-10H2,(H,16,21)
InChIKeyNBDJDVWGZFJZFD-UHFFFAOYSA-N
XLogP-0.02
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
CID 119835561
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 122080776
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide
CID 113465689
N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 106235634
1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 63283028
N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715
N-[2-(2-ethylpiperidin-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119887791
N-[2-[(2-cyclohexylacetyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119766778
N-(1,4-dithian-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 115739489
N-(3-oxo-3-piperidin-1-ylpropyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119718616

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide (CID 119853614) is 1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide is O=C(NCCN1CCSCC1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide?
The InChIKey is NBDJDVWGZFJZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6OS/c21-14(16-5-6-19-7-9-22-10-8-19)13-11-20(18-17-13)12-1-3-15-4-2-12/h11-12,15H,1-10H2,(H,16,21).
What are the key properties of 1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide?
1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 119853614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).