2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

C16H22N4OS — CID 86773374

IUPAC2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CN1CCC(c2cn[nH]c2)CC1)NCCc1cccs1
InChIInChI=1S/C16H22N4OS/c21-16(17-6-3-15-2-1-9-22-15)12-20-7-4-13(5-8-20)14-10-18-19-11-14/h1-2,9-11,13H,3-8,12H2,(H,17,21)(H,18,19)
InChIKeyUUPQUZJMCXEWNX-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.01
Rot. Bonds6

About 2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 86773374) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID86773374
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CN1CCC(c2cn[nH]c2)CC1)NCCc1cccs1
InChIInChI=1S/C16H22N4OS/c21-16(17-6-3-15-2-1-9-22-15)12-20-7-4-13(5-8-20)14-10-18-19-11-14/h1-2,9-11,13H,3-8,12H2,(H,17,21)(H,18,19)
InChIKeyUUPQUZJMCXEWNX-UHFFFAOYSA-N
XLogP2.01
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 18088940
1-[2-[[2-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600504
N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548206
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 81493901
2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 26516446
methyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate
CID 78925845
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide
CID 86773480
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 115305099
2-(cyclopropylmethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687934
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9026865
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 79607241
2-[4-(fluoromethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 171701259

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (CID 86773374) is 2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is O=C(CN1CCC(c2cn[nH]c2)CC1)NCCc1cccs1.
What is the InChIKey of 2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is UUPQUZJMCXEWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c21-16(17-6-3-15-2-1-9-22-15)12-20-7-4-13(5-8-20)14-10-18-19-11-14/h1-2,9-11,13H,3-8,12H2,(H,17,21)(H,18,19).
What are the key properties of 2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 318.45 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 86773374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).