N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide

C16H28N4O3S — CID 19454064

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCn1nc(C)c(CN(C)C(=O)C2CCN(S(C)(=O)=O)CC2)c1C
InChIInChI=1S/C16H28N4O3S/c1-6-20-13(3)15(12(2)17-20)11-18(4)16(21)14-7-9-19(10-8-14)24(5,22)23/h14H,6-11H2,1-5H3
InChIKeyZZPXHEXNHBIGTH-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.15
Rot. Bonds5

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 19454064) has the molecular formula C16H28N4O3S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID19454064
Molecular FormulaC16H28N4O3S
Molecular Weight356.49 g/mol
Exact Mass356.19
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCn1nc(C)c(CN(C)C(=O)C2CCN(S(C)(=O)=O)CC2)c1C
InChIInChI=1S/C16H28N4O3S/c1-6-20-13(3)15(12(2)17-20)11-18(4)16(21)14-7-9-19(10-8-14)24(5,22)23/h14H,6-11H2,1-5H3
InChIKeyZZPXHEXNHBIGTH-UHFFFAOYSA-N
XLogP1.15
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 3236901
N-[[1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 45817000
N-[1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperidin-3-yl]methanesulfonamide
CID 45885370
N-[[1-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 45885391
N-(1-ethylsulfonylpiperidin-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47021107
2-(1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl)-1-(4-(methylsulfonyl)piperazin-1-yl)ethanone
CID 45503121
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 49738354
3-(3,5-Dimethyl-1H-pyrazol-1-YL)-1-[3-(1-methanesulfonylpiperidin-4-YL)pyrrolidin-1-YL]propan-1-one
CID 91910339
1-{3-[1-(methylsulfonyl)-4-piperidyl]-1-pyrrolidinyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
CID 91921428
N-(2-sulfanylethyl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperidine-4-carboxamide
CID 177680453
1-Thiomorpholin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 45828456
1-[2-(1,3,5-Trimethylpyrazol-4-yl)acetyl]piperidine-3-carboxamide
CID 71899340

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide (CID 19454064) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide is CCn1nc(C)c(CN(C)C(=O)C2CCN(S(C)(=O)=O)CC2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is ZZPXHEXNHBIGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3S/c1-6-20-13(3)15(12(2)17-20)11-18(4)16(21)14-7-9-19(10-8-14)24(5,22)23/h14H,6-11H2,1-5H3.
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 19454064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).