N-methyl-1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxamide

C14H25N3O4S — CID 71897278

IUPACN-methyl-1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H25N3O4S/c1-15-13(18)12-5-3-4-8-17(12)14(19)11-6-9-16(10-7-11)22(2,20)21/h11-12H,3-10H2,1-2H3,(H,15,18)
InChIKeyIRZCAMHYPGTNMF-UHFFFAOYSA-N
MW331.44 g/mol
LogP-0.21
Rot. Bonds3

About N-methyl-1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxamide

N-methyl-1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxamide (PubChem CID 71897278) has the molecular formula C14H25N3O4S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-methyl-1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxamide
PubChem CID71897278
Molecular FormulaC14H25N3O4S
Molecular Weight331.44 g/mol
Exact Mass331.16
IUPAC NameN-methyl-1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H25N3O4S/c1-15-13(18)12-5-3-4-8-17(12)14(19)11-6-9-16(10-7-11)22(2,20)21/h11-12H,3-10H2,1-2H3,(H,15,18)
InChIKeyIRZCAMHYPGTNMF-UHFFFAOYSA-N
XLogP-0.21
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-methyl-1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxamide (CID 71897278) is N-methyl-1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-methyl-1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxamide?
The InChIKey is IRZCAMHYPGTNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4S/c1-15-13(18)12-5-3-4-8-17(12)14(19)11-6-9-16(10-7-11)22(2,20)21/h11-12H,3-10H2,1-2H3,(H,15,18).
What are the key properties of N-methyl-1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxamide?
N-methyl-1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxamide has a molecular weight of 331.44 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylsulfonylpiperidine-4-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 71897278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).