N-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylmethanesulfonamide

C15H26N2O3S — CID 138998395

IUPACN-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCN(C(=O)CC2=CCCCC2)CC1)S(C)(=O)=O
InChIInChI=1S/C15H26N2O3S/c1-16(21(2,19)20)14-8-10-17(11-9-14)15(18)12-13-6-4-3-5-7-13/h6,14H,3-5,7-12H2,1-2H3
InChIKeyIPXCHZWEGVOWTJ-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.76
Rot. Bonds4

About N-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylmethanesulfonamide

N-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylmethanesulfonamide (PubChem CID 138998395) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylmethanesulfonamide
PubChem CID138998395
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCN(C1CCN(C(=O)CC2=CCCCC2)CC1)S(C)(=O)=O
InChIInChI=1S/C15H26N2O3S/c1-16(21(2,19)20)14-8-10-17(11-9-14)15(18)12-13-6-4-3-5-7-13/h6,14H,3-5,7-12H2,1-2H3
InChIKeyIPXCHZWEGVOWTJ-UHFFFAOYSA-N
XLogP1.76
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.76
H-Bond Donors ≤ 50
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-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylmethanesulfonamide (CID 138998395) is N-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylmethanesulfonamide is CN(C1CCN(C(=O)CC2=CCCCC2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylmethanesulfonamide?
The InChIKey is IPXCHZWEGVOWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-16(21(2,19)20)14-8-10-17(11-9-14)15(18)12-13-6-4-3-5-7-13/h6,14H,3-5,7-12H2,1-2H3.
What are the key properties of N-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylmethanesulfonamide?
N-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylmethanesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 138998395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).