N-(1-methylpyrazol-3-yl)-2-[4-(methylsulfanylmethyl)piperidin-1-yl]acetamide

C13H22N4OS — CID 91840957

IUPACN-(1-methylpyrazol-3-yl)-2-[4-(methylsulfanylmethyl)piperidin-1-yl]acetamide
SMILESCSCC1CCN(CC(=O)Nc2ccn(C)n2)CC1
InChIInChI=1S/C13H22N4OS/c1-16-6-5-12(15-16)14-13(18)9-17-7-3-11(4-8-17)10-19-2/h5-6,11H,3-4,7-10H2,1-2H3,(H,14,15,18)
InChIKeyQVNZHCYVTVRXRP-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.43
Rot. Bonds5

About N-(1-methylpyrazol-3-yl)-2-[4-(methylsulfanylmethyl)piperidin-1-yl]acetamide

N-(1-methylpyrazol-3-yl)-2-[4-(methylsulfanylmethyl)piperidin-1-yl]acetamide (PubChem CID 91840957) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-2-[4-(methylsulfanylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-2-[4-(methylsulfanylmethyl)piperidin-1-yl]acetamide
PubChem CID91840957
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-(1-methylpyrazol-3-yl)-2-[4-(methylsulfanylmethyl)piperidin-1-yl]acetamide
SMILESCSCC1CCN(CC(=O)Nc2ccn(C)n2)CC1
InChIInChI=1S/C13H22N4OS/c1-16-6-5-12(15-16)14-13(18)9-17-7-3-11(4-8-17)10-19-2/h5-6,11H,3-4,7-10H2,1-2H3,(H,14,15,18)
InChIKeyQVNZHCYVTVRXRP-UHFFFAOYSA-N
XLogP1.43
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 46981191
2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 16294137
2-(1,1-dioxidothiomorpholin-4-yl)-N-(1-methyl-1H-pyrazol-3-yl)acetamide
CID 47205415
2-[[2-[[2-(Cyclohexylmethyl)pyrazol-3-yl]amino]-2-oxoethyl]-methylamino]acetamide
CID 56818419
2-[(4S*)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-N-(1-methyl-1H-pyrazol-3-yl)acetamide
CID 70712295
N-(1-methylpyrazol-3-yl)-2-oxo-2-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]acetamide
CID 96416753
1-(4-Methylpiperidin-1-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one
CID 75500779
(2R)-1-(4-methylpiperidin-1-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one
CID 97807094
(2S)-1-(4-methylpiperidin-1-yl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]propan-1-one
CID 97807096
2-[[1-(thian-4-yl)pyrazol-3-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 167747677
3-methyl-N-(1-{1-[3-(methylthio)propanoyl]-4-piperidinyl}-1H-pyrazol-5-yl)butanamide
CID 25373971
N-[2-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 25384140

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-2-[4-(methylsulfanylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-2-[4-(methylsulfanylmethyl)piperidin-1-yl]acetamide (CID 91840957) is N-(1-methylpyrazol-3-yl)-2-[4-(methylsulfanylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-2-[4-(methylsulfanylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-2-[4-(methylsulfanylmethyl)piperidin-1-yl]acetamide is CSCC1CCN(CC(=O)Nc2ccn(C)n2)CC1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-2-[4-(methylsulfanylmethyl)piperidin-1-yl]acetamide?
The InChIKey is QVNZHCYVTVRXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-16-6-5-12(15-16)14-13(18)9-17-7-3-11(4-8-17)10-19-2/h5-6,11H,3-4,7-10H2,1-2H3,(H,14,15,18).
What are the key properties of N-(1-methylpyrazol-3-yl)-2-[4-(methylsulfanylmethyl)piperidin-1-yl]acetamide?
N-(1-methylpyrazol-3-yl)-2-[4-(methylsulfanylmethyl)piperidin-1-yl]acetamide has a molecular weight of 282.41 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-2-[4-(methylsulfanylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 91840957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).