N-butyl-2-methyl-1-(thiadiazole-4-carbonyl)piperidine-2-carboxamide

C14H22N4O2S — CID 46942844

IUPACN-butyl-2-methyl-1-(thiadiazole-4-carbonyl)piperidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCCCN1C(=O)c1csnn1
InChIInChI=1S/C14H22N4O2S/c1-3-4-8-15-13(20)14(2)7-5-6-9-18(14)12(19)11-10-21-17-16-11/h10H,3-9H2,1-2H3,(H,15,20)
InChIKeyYFAMFUBEDQLJOA-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.84
Rot. Bonds5

About N-butyl-2-methyl-1-(thiadiazole-4-carbonyl)piperidine-2-carboxamide

N-butyl-2-methyl-1-(thiadiazole-4-carbonyl)piperidine-2-carboxamide (PubChem CID 46942844) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-butyl-2-methyl-1-(thiadiazole-4-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-2-methyl-1-(thiadiazole-4-carbonyl)piperidine-2-carboxamide
PubChem CID46942844
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-butyl-2-methyl-1-(thiadiazole-4-carbonyl)piperidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCCCN1C(=O)c1csnn1
InChIInChI=1S/C14H22N4O2S/c1-3-4-8-15-13(20)14(2)7-5-6-9-18(14)12(19)11-10-21-17-16-11/h10H,3-9H2,1-2H3,(H,15,20)
InChIKeyYFAMFUBEDQLJOA-UHFFFAOYSA-N
XLogP1.84
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.84
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-1-(thiadiazole-4-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-butyl-2-methyl-1-(thiadiazole-4-carbonyl)piperidine-2-carboxamide (CID 46942844) is N-butyl-2-methyl-1-(thiadiazole-4-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-butyl-2-methyl-1-(thiadiazole-4-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-butyl-2-methyl-1-(thiadiazole-4-carbonyl)piperidine-2-carboxamide is CCCCNC(=O)C1(C)CCCCN1C(=O)c1csnn1.
What is the InChIKey of N-butyl-2-methyl-1-(thiadiazole-4-carbonyl)piperidine-2-carboxamide?
The InChIKey is YFAMFUBEDQLJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-3-4-8-15-13(20)14(2)7-5-6-9-18(14)12(19)11-10-21-17-16-11/h10H,3-9H2,1-2H3,(H,15,20).
What are the key properties of N-butyl-2-methyl-1-(thiadiazole-4-carbonyl)piperidine-2-carboxamide?
N-butyl-2-methyl-1-(thiadiazole-4-carbonyl)piperidine-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-1-(thiadiazole-4-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 46942844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).