N-[2-(cyclohexen-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

C17H26N4O3S — CID 5307779

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C17H26N4O3S/c22-17(19-9-8-14-5-2-1-3-6-14)15-7-4-10-21(12-15)25(23,24)16-11-18-13-20-16/h5,11,13,15H,1-4,6-10,12H2,(H,18,20)(H,19,22)
InChIKeyHBCBTOSJSPOPSC-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.82
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (PubChem CID 5307779) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
PubChem CID5307779
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
InChIInChI=1S/C17H26N4O3S/c22-17(19-9-8-14-5-2-1-3-6-14)15-7-4-10-21(12-15)25(23,24)16-11-18-13-20-16/h5,11,13,15H,1-4,6-10,12H2,(H,18,20)(H,19,22)
InChIKeyHBCBTOSJSPOPSC-UHFFFAOYSA-N
XLogP1.82
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclohex-1-en-1-ylethyl)-1-(1H-imidazol-4-ylsulfonyl)piperidine-4-carboxamide
CID 3236723
1-(1H-imidazol-5-ylsulfonyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 5307129
N-(2-ethylhexyl)-1-(1H-imidazol-4-ylsulfonyl)-3-piperidinecarboxamide
CID 5307411
N-cycloheptyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5308846
N-cyclohexyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5308847
N-cyclooctyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5308293
N-cyclopentyl-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5308473
1-{[1-(1H-imidazol-4-ylsulfonyl)piperidin-3-yl]carbonyl}-3,5-dimethylpiperidine
CID 16194491
N-[2-(Cyclohex-1-EN-1-YL)ethyl]-1-[(1-methyl-1H-imidazol-4-YL)sulfonyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
CID 110199958
N-(2,3-dimethylcyclohexyl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 15994946
1-(1H-imidazol-4-ylsulfonyl)-N-(3-phenylpropyl)-3-piperidinecarboxamide
CID 20862158
1-(1H-imidazol-5-ylsulfonyl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 20862165

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide (CID 5307779) is N-[2-(cyclohexen-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is O=C(NCCC1=CCCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
The InChIKey is HBCBTOSJSPOPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c22-17(19-9-8-14-5-2-1-3-6-14)15-7-4-10-21(12-15)25(23,24)16-11-18-13-20-16/h5,11,13,15H,1-4,6-10,12H2,(H,18,20)(H,19,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 5307779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).