N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide

C14H24N4O3S — CID 19449987

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCn1ccc(CN(C)C(=O)C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C14H24N4O3S/c1-4-17-8-7-13(15-17)11-16(2)14(19)12-5-9-18(10-6-12)22(3,20)21/h7-8,12H,4-6,9-11H2,1-3H3
InChIKeyQBRRXWRWGLHDIM-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.53
Rot. Bonds5

About N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide

N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 19449987) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID19449987
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCn1ccc(CN(C)C(=O)C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C14H24N4O3S/c1-4-17-8-7-13(15-17)11-16(2)14(19)12-5-9-18(10-6-12)22(3,20)21/h7-8,12H,4-6,9-11H2,1-3H3
InChIKeyQBRRXWRWGLHDIM-UHFFFAOYSA-N
XLogP0.53
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide (CID 19449987) is N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide is CCn1ccc(CN(C)C(=O)C2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is QBRRXWRWGLHDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-4-17-8-7-13(15-17)11-16(2)14(19)12-5-9-18(10-6-12)22(3,20)21/h7-8,12H,4-6,9-11H2,1-3H3.
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 19449987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).