N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

C16H23N5OS — CID 71880411

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESCc1cc(C(C)NC(=O)N2CCC(n3cncn3)CC2)c(C)s1
InChIInChI=1S/C16H23N5OS/c1-11-8-15(13(3)23-11)12(2)19-16(22)20-6-4-14(5-7-20)21-10-17-9-18-21/h8-10,12,14H,4-7H2,1-3H3,(H,19,22)
InChIKeyLSRNCBPIFBWDHA-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.06
Rot. Bonds3

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (PubChem CID 71880411) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
PubChem CID71880411
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESCc1cc(C(C)NC(=O)N2CCC(n3cncn3)CC2)c(C)s1
InChIInChI=1S/C16H23N5OS/c1-11-8-15(13(3)23-11)12(2)19-16(22)20-6-4-14(5-7-20)21-10-17-9-18-21/h8-10,12,14H,4-7H2,1-3H3,(H,19,22)
InChIKeyLSRNCBPIFBWDHA-UHFFFAOYSA-N
XLogP3.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

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-(2-thiophen-3-ylethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53580399
N-[(5-methylthiophen-2-yl)methyl]-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53596697
N-methyl-N-(thiophen-2-ylmethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53606460
N-[(5-methylthiophen-2-yl)methyl]-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53609603
N-(2-thiophen-2-ylethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53617370
N-methyl-N-(thiophen-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56781106
N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 56793628
N-[(3-methylthiophen-2-yl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45875803
N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 47043677
N-(1-thiophen-2-ylethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56780600
N-(thiophen-2-ylmethyl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 56780617

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (CID 71880411) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is Cc1cc(C(C)NC(=O)N2CCC(n3cncn3)CC2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The InChIKey is LSRNCBPIFBWDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-11-8-15(13(3)23-11)12(2)19-16(22)20-6-4-14(5-7-20)21-10-17-9-18-21/h8-10,12,14H,4-7H2,1-3H3,(H,19,22).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71880411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).