N-[(3-methylthiophen-2-yl)methyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide

C16H22N4OS — CID 95760359

IUPACN-[(3-methylthiophen-2-yl)methyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
SMILESCc1ccsc1CNC(=O)CN1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C16H22N4OS/c1-12-5-8-22-15(12)9-17-16(21)11-20-7-2-3-13(10-20)14-4-6-18-19-14/h4-6,8,13H,2-3,7,9-11H2,1H3,(H,17,21)(H,18,19)/t13-/m0/s1
InChIKeyWTTKOMRMUJINCJ-ZDUSSCGKSA-N
MW318.45 g/mol
LogP2.28
Rot. Bonds5

About N-[(3-methylthiophen-2-yl)methyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide

N-[(3-methylthiophen-2-yl)methyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide (PubChem CID 95760359) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
PubChem CID95760359
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
SMILESCc1ccsc1CNC(=O)CN1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C16H22N4OS/c1-12-5-8-22-15(12)9-17-16(21)11-20-7-2-3-13(10-20)14-4-6-18-19-14/h4-6,8,13H,2-3,7,9-11H2,1H3,(H,17,21)(H,18,19)/t13-/m0/s1
InChIKeyWTTKOMRMUJINCJ-ZDUSSCGKSA-N
XLogP2.28
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 119920391
2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 110898342
N-[2-(3-methoxyphenyl)ethyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760381
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 100836737
1-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909191
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760394
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760304
2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 129426223
N-benzyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 51104503
(3R)-N-[(3-methylthiophen-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97073252
N-[2-[2-(difluoromethoxy)phenyl]ethyl]-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 166183669
N-[(2-chlorophenyl)methyl]-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 95760417

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide (CID 95760359) is N-[(3-methylthiophen-2-yl)methyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide is Cc1ccsc1CNC(=O)CN1CCC[C@H](c2ccn[nH]2)C1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The InChIKey is WTTKOMRMUJINCJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-12-5-8-22-15(12)9-17-16(21)11-20-7-2-3-13(10-20)14-4-6-18-19-14/h4-6,8,13H,2-3,7,9-11H2,1H3,(H,17,21)(H,18,19)/t13-/m0/s1.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
N-[(3-methylthiophen-2-yl)methyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide has a molecular weight of 318.45 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 95760359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).