N-(1-methylpiperidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide

C13H25N3O3S — CID 19582854

IUPACN-(1-methylpiperidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN1CCC(NC(=O)C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C13H25N3O3S/c1-15-7-5-12(6-8-15)14-13(17)11-3-9-16(10-4-11)20(2,18)19/h11-12H,3-10H2,1-2H3,(H,14,17)
InChIKeyGZDJZFUOUYZCPJ-UHFFFAOYSA-N
MW303.43 g/mol
LogP-0.13
Rot. Bonds3

About N-(1-methylpiperidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide

N-(1-methylpiperidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 19582854) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID19582854
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-(1-methylpiperidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN1CCC(NC(=O)C2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C13H25N3O3S/c1-15-7-5-12(6-8-15)14-13(17)11-3-9-16(10-4-11)20(2,18)19/h11-12H,3-10H2,1-2H3,(H,14,17)
InChIKeyGZDJZFUOUYZCPJ-UHFFFAOYSA-N
XLogP-0.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide (CID 19582854) is N-(1-methylpiperidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide is CN1CCC(NC(=O)C2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is GZDJZFUOUYZCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-15-7-5-12(6-8-15)14-13(17)11-3-9-16(10-4-11)20(2,18)19/h11-12H,3-10H2,1-2H3,(H,14,17).
What are the key properties of N-(1-methylpiperidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(1-methylpiperidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 303.43 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 19582854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).