3-methyl-N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide

C17H30N4OS — CID 25453298

IUPAC3-methyl-N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCSC[C@@H](C)N1CCC(n2nccc2NC(=O)CC(C)C)CC1
InChIInChI=1S/C17H30N4OS/c1-13(2)11-17(22)19-16-5-8-18-21(16)15-6-9-20(10-7-15)14(3)12-23-4/h5,8,13-15H,6-7,9-12H2,1-4H3,(H,19,22)/t14-/m1/s1
InChIKeyGMDSBMSRXJSGPW-CQSZACIVSA-N
MW338.52 g/mol
LogP3.26
Rot. Bonds7

About 3-methyl-N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide

3-methyl-N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide (PubChem CID 25453298) has the molecular formula C17H30N4OS and a molecular weight of 338.52 g/mol. Its IUPAC name is 3-methyl-N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide
PubChem CID25453298
Molecular FormulaC17H30N4OS
Molecular Weight338.52 g/mol
Exact Mass338.21
IUPAC Name3-methyl-N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCSC[C@@H](C)N1CCC(n2nccc2NC(=O)CC(C)C)CC1
InChIInChI=1S/C17H30N4OS/c1-13(2)11-17(22)19-16-5-8-18-21(16)15-6-9-20(10-7-15)14(3)12-23-4/h5,8,13-15H,6-7,9-12H2,1-4H3,(H,19,22)/t14-/m1/s1
InChIKeyGMDSBMSRXJSGPW-CQSZACIVSA-N
XLogP3.26
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 56752573
N-[2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
CID 56744490
N-[2-[1-[2-(azepan-1-yl)acetyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
CID 26336788
2,2-dimethyl-N-[2-[1-[(2R)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42380475
N-(2-cyclopentylpyrazol-3-yl)-3-piperidin-1-ylbutanamide;formic acid
CID 154914576
3-methyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 42508756
3-methyl-N-[2-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 42152409
N-[2-[1-[(2R)-2-amino-4,4-dimethylpentanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide;hydrochloride
CID 154884999
N-[2-[1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
CID 25377042
3-methyl-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]butanamide
CID 42596631
N-[2-[1-(4-methyl-4-methylsulfanylpentan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 45241923
3-methyl-N-[2-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]butanamide
CID 25456681

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide (CID 25453298) is 3-methyl-N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide is CSC[C@@H](C)N1CCC(n2nccc2NC(=O)CC(C)C)CC1.
What is the InChIKey of 3-methyl-N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide?
The InChIKey is GMDSBMSRXJSGPW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H30N4OS/c1-13(2)11-17(22)19-16-5-8-18-21(16)15-6-9-20(10-7-15)14(3)12-23-4/h5,8,13-15H,6-7,9-12H2,1-4H3,(H,19,22)/t14-/m1/s1.
What are the key properties of 3-methyl-N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide?
3-methyl-N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide has a molecular weight of 338.52 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide is sourced from PubChem (CID 25453298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).