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

C20H35N3O3S — CID 4983363

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)CC1
InChIInChI=1S/C20H35N3O3S/c1-17-8-13-22(14-9-17)27(25,26)23-15-10-19(11-16-23)20(24)21-12-7-18-5-3-2-4-6-18/h5,17,19H,2-4,6-16H2,1H3,(H,21,24)
InChIKeyRDTRYGRJNBPDFY-UHFFFAOYSA-N
MW397.59 g/mol
LogP2.68
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 4983363) 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-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
PubChem CID4983363
Molecular FormulaC20H35N3O3S
Molecular Weight397.59 g/mol
Exact Mass397.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)CC1
InChIInChI=1S/C20H35N3O3S/c1-17-8-13-22(14-9-17)27(25,26)23-15-10-19(11-16-23)20(24)21-12-7-18-5-3-2-4-6-18/h5,17,19H,2-4,6-16H2,1H3,(H,21,24)
InChIKeyRDTRYGRJNBPDFY-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide (CID 4983363) is N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide is CC1CCN(S(=O)(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is RDTRYGRJNBPDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3S/c1-17-8-13-22(14-9-17)27(25,26)23-15-10-19(11-16-23)20(24)21-12-7-18-5-3-2-4-6-18/h5,17,19H,2-4,6-16H2,1H3,(H,21,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-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-4-carboxamide is sourced from PubChem (CID 4983363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).