N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide

C12H20N4O3S — CID 63939461

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H20N4O3S/c1-15(9-11-13-5-6-14-11)12(17)10-3-7-16(8-4-10)20(2,18)19/h5-6,10H,3-4,7-9H2,1-2H3,(H,13,14)
InChIKeyUTBMRLFNFCYSBM-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.04
Rot. Bonds4

About N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 63939461) 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-4-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID63939461
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN(Cc1ncc[nH]1)C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H20N4O3S/c1-15(9-11-13-5-6-14-11)12(17)10-3-7-16(8-4-10)20(2,18)19/h5-6,10H,3-4,7-9H2,1-2H3,(H,13,14)
InChIKeyUTBMRLFNFCYSBM-UHFFFAOYSA-N
XLogP0.04
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 ≤ 50.04
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-4-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide (CID 63939461) is N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide is CN(Cc1ncc[nH]1)C(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is UTBMRLFNFCYSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-15(9-11-13-5-6-14-11)12(17)10-3-7-16(8-4-10)20(2,18)19/h5-6,10H,3-4,7-9H2,1-2H3,(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.04, 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-4-carboxamide is sourced from PubChem (CID 63939461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).