2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide

C14H19N5OS — CID 126443982

IUPAC2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESO=C(Cn1nccc1[C@@H]1CCCNC1)NCc1nccs1
InChIInChI=1S/C14H19N5OS/c20-13(17-9-14-16-6-7-21-14)10-19-12(3-5-18-19)11-2-1-4-15-8-11/h3,5-7,11,15H,1-2,4,8-10H2,(H,17,20)/t11-/m1/s1
InChIKeyRKNVPMJHWGIWSO-LLVKDONJSA-N
MW305.41 g/mol
LogP1.12
Rot. Bonds5

About 2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide

2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 126443982) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID126443982
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESO=C(Cn1nccc1[C@@H]1CCCNC1)NCc1nccs1
InChIInChI=1S/C14H19N5OS/c20-13(17-9-14-16-6-7-21-14)10-19-12(3-5-18-19)11-2-1-4-15-8-11/h3,5-7,11,15H,1-2,4,8-10H2,(H,17,20)/t11-/m1/s1
InChIKeyRKNVPMJHWGIWSO-LLVKDONJSA-N
XLogP1.12
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-piperidin-3-ylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 154905968
2-(5-piperidin-3-ylpyrazol-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide;hydrochloride
CID 154905162
N-(1,3-benzodioxol-5-ylmethyl)-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126452488
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126430454
N-(2-piperidin-1-ylethyl)-2-(5-piperidin-3-ylpyrazol-1-yl)acetamide
CID 119074986
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126449343
4-fluoro-N-[2-[[2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetyl]amino]ethyl]benzamide
CID 126431022
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126439940
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126448514
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126437647
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428114
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-[5-[(3S)-piperidin-3-yl]pyrazol-1-yl]acetamide
CID 126428113

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 126443982) is 2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide is O=C(Cn1nccc1[C@@H]1CCCNC1)NCc1nccs1.
What is the InChIKey of 2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is RKNVPMJHWGIWSO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5OS/c20-13(17-9-14-16-6-7-21-14)10-19-12(3-5-18-19)11-2-1-4-15-8-11/h3,5-7,11,15H,1-2,4,8-10H2,(H,17,20)/t11-/m1/s1.
What are the key properties of 2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 305.41 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3R)-piperidin-3-yl]pyrazol-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 126443982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).