N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide

C20H35N3O3S — CID 4047398

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCC(C(=O)NCCC3=CCCCC3)C2)CC1
InChIInChI=1S/C20H35N3O3S/c1-17-10-14-22(15-11-17)27(25,26)23-13-5-8-19(16-23)20(24)21-12-9-18-6-3-2-4-7-18/h6,17,19H,2-5,7-16H2,1H3,(H,21,24)
InChIKeyXXXBDCURTDKSEE-UHFFFAOYSA-N
MW397.59 g/mol
LogP2.68
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 4047398) has the molecular formula C20H35N3O3S and a molecular weight of 397.59 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
PubChem CID4047398
Molecular FormulaC20H35N3O3S
Molecular Weight397.59 g/mol
Exact Mass397.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCC(C(=O)NCCC3=CCCCC3)C2)CC1
InChIInChI=1S/C20H35N3O3S/c1-17-10-14-22(15-11-17)27(25,26)23-13-5-8-19(16-23)20(24)21-12-9-18-6-3-2-4-7-18/h6,17,19H,2-5,7-16H2,1H3,(H,21,24)
InChIKeyXXXBDCURTDKSEE-UHFFFAOYSA-N
XLogP2.68
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-benzylsulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide
CID 92641347
N-[2-(4-ethoxyphenyl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 20911420
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 5111127
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42395265
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 50771431
1-(cyclobutanecarbonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 113003190
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethylsulfonyl)piperidine-4-carboxamide
CID 110335401
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 15999456
tert-butyl (3R)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 31327704
N-[2-(cyclohexen-1-yl)ethyl]-1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carboxamide
CID 3236723
N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 110753679
N-[(3-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 20887286

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (CID 4047398) is N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is CC1CCN(S(=O)(=O)N2CCCC(C(=O)NCCC3=CCCCC3)C2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is XXXBDCURTDKSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3S/c1-17-10-14-22(15-11-17)27(25,26)23-13-5-8-19(16-23)20(24)21-12-9-18-6-3-2-4-7-18/h6,17,19H,2-5,7-16H2,1H3,(H,21,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 397.59 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4047398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).