N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

C12H20N4O3S — CID 17022628

IUPACN-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCn1cc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C12H20N4O3S/c1-15-9-10(8-14-15)7-13-12(17)11-3-5-16(6-4-11)20(2,18)19/h8-9,11H,3-7H2,1-2H3,(H,13,17)
InChIKeyHLIRZXVJQMBZPY-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.29
Rot. Bonds4

About N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 17022628) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID17022628
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCn1cc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C12H20N4O3S/c1-15-9-10(8-14-15)7-13-12(17)11-3-5-16(6-4-11)20(2,18)19/h8-9,11H,3-7H2,1-2H3,(H,13,17)
InChIKeyHLIRZXVJQMBZPY-UHFFFAOYSA-N
XLogP-0.29
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 17022628) is N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is Cn1cc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is HLIRZXVJQMBZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-15-9-10(8-14-15)7-13-12(17)11-3-5-16(6-4-11)20(2,18)19/h8-9,11H,3-7H2,1-2H3,(H,13,17).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 300.38 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 17022628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).