N-[6-(5-ethyltriazol-1-yl)hexyl]-1-methylsulfonylpiperidine-4-carboxamide

C17H31N5O3S — CID 170709380

IUPACN-[6-(5-ethyltriazol-1-yl)hexyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCc1cnnn1CCCCCCNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C17H31N5O3S/c1-3-16-14-19-20-22(16)11-7-5-4-6-10-18-17(23)15-8-12-21(13-9-15)26(2,24)25/h14-15H,3-13H2,1-2H3,(H,18,23)
InChIKeyYQXPGVUEIDINJS-UHFFFAOYSA-N
MW385.53 g/mol
LogP1.19
Rot. Bonds10

About N-[6-(5-ethyltriazol-1-yl)hexyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[6-(5-ethyltriazol-1-yl)hexyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 170709380) has the molecular formula C17H31N5O3S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[6-(5-ethyltriazol-1-yl)hexyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(5-ethyltriazol-1-yl)hexyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID170709380
Molecular FormulaC17H31N5O3S
Molecular Weight385.53 g/mol
Exact Mass385.21
IUPAC NameN-[6-(5-ethyltriazol-1-yl)hexyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCc1cnnn1CCCCCCNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C17H31N5O3S/c1-3-16-14-19-20-22(16)11-7-5-4-6-10-18-17(23)15-8-12-21(13-9-15)26(2,24)25/h14-15H,3-13H2,1-2H3,(H,18,23)
InChIKeyYQXPGVUEIDINJS-UHFFFAOYSA-N
XLogP1.19
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 19332404
ethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide
CID 170709349
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 53278198
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
N-(3-benzylsulfanylpropyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 56920016
1-methylsulfonyl-N-[2-(1,3-oxazol-4-yl)ethyl]piperidine-4-carboxamide
CID 110721980
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 38464944
1-methylsulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide
CID 3653413
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94119856
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94119857
N-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 6941835
methyl 2-[4-(hexylcarbamoyl)piperidin-1-yl]sulfonylbenzoate
CID 43007840

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-ethyltriazol-1-yl)hexyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[6-(5-ethyltriazol-1-yl)hexyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 170709380) is N-[6-(5-ethyltriazol-1-yl)hexyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[6-(5-ethyltriazol-1-yl)hexyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[6-(5-ethyltriazol-1-yl)hexyl]-1-methylsulfonylpiperidine-4-carboxamide is CCc1cnnn1CCCCCCNC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[6-(5-ethyltriazol-1-yl)hexyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is YQXPGVUEIDINJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O3S/c1-3-16-14-19-20-22(16)11-7-5-4-6-10-18-17(23)15-8-12-21(13-9-15)26(2,24)25/h14-15H,3-13H2,1-2H3,(H,18,23).
What are the key properties of N-[6-(5-ethyltriazol-1-yl)hexyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[6-(5-ethyltriazol-1-yl)hexyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 1.19, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-ethyltriazol-1-yl)hexyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 170709380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).