N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-2-carboxamide

C12H20N4O3S — CID 63928956

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1CCCCN1S(C)(=O)=O
InChIInChI=1S/C12H20N4O3S/c1-15(9-11-13-6-7-14-11)12(17)10-5-3-4-8-16(10)20(2,18)19/h6-7,10H,3-5,8-9H2,1-2H3,(H,13,14)
InChIKeyIBDWMFMHCINXGN-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.18
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-2-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 63928956) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID63928956
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-2-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1CCCCN1S(C)(=O)=O
InChIInChI=1S/C12H20N4O3S/c1-15(9-11-13-6-7-14-11)12(17)10-5-3-4-8-16(10)20(2,18)19/h6-7,10H,3-5,8-9H2,1-2H3,(H,13,14)
InChIKeyIBDWMFMHCINXGN-UHFFFAOYSA-N
XLogP0.18
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-2-carboxamide (CID 63928956) is N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-2-carboxamide is CN(Cc1ncc[nH]1)C(=O)C1CCCCN1S(C)(=O)=O.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is IBDWMFMHCINXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-15(9-11-13-6-7-14-11)12(17)10-5-3-4-8-16(10)20(2,18)19/h6-7,10H,3-5,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-2-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 63928956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).