1-[(3-methylthiophen-2-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine

C16H24N4S — CID 53192764

IUPAC1-[(3-methylthiophen-2-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine
SMILESCCCn1cnnc1C1CCCN(Cc2sccc2C)C1
InChIInChI=1S/C16H24N4S/c1-3-7-20-12-17-18-16(20)14-5-4-8-19(10-14)11-15-13(2)6-9-21-15/h6,9,12,14H,3-5,7-8,10-11H2,1-2H3
InChIKeyJVHYODRWLRPAAQ-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.44
Rot. Bonds5

About 1-[(3-methylthiophen-2-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine

1-[(3-methylthiophen-2-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 53192764) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-[(3-methylthiophen-2-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-[(3-methylthiophen-2-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine
PubChem CID53192764
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name1-[(3-methylthiophen-2-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine
SMILESCCCn1cnnc1C1CCCN(Cc2sccc2C)C1
InChIInChI=1S/C16H24N4S/c1-3-7-20-12-17-18-16(20)14-5-4-8-19(10-14)11-15-13(2)6-9-21-15/h6,9,12,14H,3-5,7-8,10-11H2,1-2H3
InChIKeyJVHYODRWLRPAAQ-UHFFFAOYSA-N
XLogP3.44
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-3-[(3-phenyl-2-propen-1-yl)thio]-5-(2-thienyl)-4H-1,2,4-triazole
CID 2142932
4-Benzyl-3-benzylsulfanyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole
CID 44446022
4-Benzyl-3-hexylsulfanyl-5-thiophen-2-yl-1,2,4-triazole
CID 44446026
4-Benzyl-3-hexylsulfanyl-5-thiophen-3-yl-1,2,4-triazole
CID 44446034
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51084695
N-[(5-methylthiophen-2-yl)methyl]-1-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 53609462
3-[4-Methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 70712771
1-(4-ethyl-5-{1-[(5-methyl-2-thienyl)methyl]piperidin-4-yl}-4H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
CID 70716094
1-(5-{1-[(5-chloro-2-thienyl)methyl]piperidin-3-yl}-4-methyl-4H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine
CID 70762696
3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-[(5-methyl-2-thienyl)methyl]piperidine
CID 70783523
(Z)-4-ethyl-3-((3-phenylallyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole
CID 2142930
1-[(5-methyl-2-thienyl)methyl]-3-(5-methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 53192044

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-[(3-methylthiophen-2-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine (CID 53192764) is 1-[(3-methylthiophen-2-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-[(3-methylthiophen-2-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-[(3-methylthiophen-2-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine is CCCn1cnnc1C1CCCN(Cc2sccc2C)C1.
What is the InChIKey of 1-[(3-methylthiophen-2-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is JVHYODRWLRPAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-3-7-20-12-17-18-16(20)14-5-4-8-19(10-14)11-15-13(2)6-9-21-15/h6,9,12,14H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 1-[(3-methylthiophen-2-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine?
1-[(3-methylthiophen-2-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 304.46 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylthiophen-2-yl)methyl]-3-(4-propyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 53192764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).