N-[2-(cyclohexen-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide

C23H29N3O3S — CID 5309699

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C23H29N3O3S/c27-23(25-15-11-18-6-2-1-3-7-18)20-12-16-26(17-13-20)30(28,29)21-10-4-8-19-9-5-14-24-22(19)21/h4-6,8-10,14,20H,1-3,7,11-13,15-17H2,(H,25,27)
InChIKeyLSWGJZPXHUVMQF-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.64
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide (PubChem CID 5309699) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
PubChem CID5309699
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C23H29N3O3S/c27-23(25-15-11-18-6-2-1-3-7-18)20-12-16-26(17-13-20)30(28,29)21-10-4-8-19-9-5-14-24-22(19)21/h4-6,8-10,14,20H,1-3,7,11-13,15-17H2,(H,25,27)
InChIKeyLSWGJZPXHUVMQF-UHFFFAOYSA-N
XLogP3.64
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylpiperidin-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5309306
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190524
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 50781383
N-[2-(cyclohexen-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
CID 3236723
N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5308867
1-[(4-bromophenyl)methylsulfonyl]-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 43908976
1-quinolin-8-ylsulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
CID 71146754
8-piperidin-1-ylsulfonylquinoline
CID 768759
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide
CID 110335401
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
N-[2-(cyclohexen-1-yl)ethyl]-1-[[(2S)-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl]sulfonyl]piperidine-4-carboxamide
CID 92692642
1-(cyclobutanecarbonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 113003190

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide (CID 5309699) is N-[2-(cyclohexen-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide is O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is LSWGJZPXHUVMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c27-23(25-15-11-18-6-2-1-3-7-18)20-12-16-26(17-13-20)30(28,29)21-10-4-8-19-9-5-14-24-22(19)21/h4-6,8-10,14,20H,1-3,7,11-13,15-17H2,(H,25,27).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 427.57 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5309699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).