2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-N-(1-methylsulfinylpropan-2-yl)-2-oxoacetamide

C15H24N4O3S — CID 167756837

IUPAC2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-N-(1-methylsulfinylpropan-2-yl)-2-oxoacetamide
SMILESCC(CS(C)=O)NC(=O)C(=O)N1CCC(c2cnn(C)c2)CC1
InChIInChI=1S/C15H24N4O3S/c1-11(10-23(3)22)17-14(20)15(21)19-6-4-12(5-7-19)13-8-16-18(2)9-13/h8-9,11-12H,4-7,10H2,1-3H3,(H,17,20)
InChIKeyCTIQOFGQTNBKBW-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.01
Rot. Bonds4

About 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-N-(1-methylsulfinylpropan-2-yl)-2-oxoacetamide

2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-N-(1-methylsulfinylpropan-2-yl)-2-oxoacetamide (PubChem CID 167756837) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-N-(1-methylsulfinylpropan-2-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-N-(1-methylsulfinylpropan-2-yl)-2-oxoacetamide
PubChem CID167756837
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-N-(1-methylsulfinylpropan-2-yl)-2-oxoacetamide
SMILESCC(CS(C)=O)NC(=O)C(=O)N1CCC(c2cnn(C)c2)CC1
InChIInChI=1S/C15H24N4O3S/c1-11(10-23(3)22)17-14(20)15(21)19-6-4-12(5-7-19)13-8-16-18(2)9-13/h8-9,11-12H,4-7,10H2,1-3H3,(H,17,20)
InChIKeyCTIQOFGQTNBKBW-UHFFFAOYSA-N
XLogP0.01
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-methyl-2-(1-methylpyrazol-3-yl)propyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
CID 167962588
N-[(5-cyclobutyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
CID 167918114
N-[cyclobutyl(cyclopropyl)methyl]-4-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 128635077
2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 86773566
N-(5-bromo-2-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
CID 166211702
N-[2-(difluoromethoxy)-4-methylphenyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetamide
CID 166260394
N-ethyl-N'-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742443
[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-[3-(methylsulfinylmethyl)-1-benzothiophen-2-yl]methanone
CID 166188626
3-[[N-methyl-C-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]carbonimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111740931
1-methyl-3-[[4-[2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoacetyl]morpholin-2-yl]methyl]urea
CID 167812139
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propanamide
CID 86773522
1-methyl-5-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]pyridin-2-one
CID 127339699

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-N-(1-methylsulfinylpropan-2-yl)-2-oxoacetamide?
The IUPAC name of 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-N-(1-methylsulfinylpropan-2-yl)-2-oxoacetamide (CID 167756837) is 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-N-(1-methylsulfinylpropan-2-yl)-2-oxoacetamide.
What is the SMILES notation for 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-N-(1-methylsulfinylpropan-2-yl)-2-oxoacetamide?
The canonical SMILES for 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-N-(1-methylsulfinylpropan-2-yl)-2-oxoacetamide is CC(CS(C)=O)NC(=O)C(=O)N1CCC(c2cnn(C)c2)CC1.
What is the InChIKey of 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-N-(1-methylsulfinylpropan-2-yl)-2-oxoacetamide?
The InChIKey is CTIQOFGQTNBKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-11(10-23(3)22)17-14(20)15(21)19-6-4-12(5-7-19)13-8-16-18(2)9-13/h8-9,11-12H,4-7,10H2,1-3H3,(H,17,20).
What are the key properties of 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-N-(1-methylsulfinylpropan-2-yl)-2-oxoacetamide?
2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-N-(1-methylsulfinylpropan-2-yl)-2-oxoacetamide has a molecular weight of 340.45 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-N-(1-methylsulfinylpropan-2-yl)-2-oxoacetamide is sourced from PubChem (CID 167756837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).