N-methyl-3-pyrazol-1-yl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide

C16H20N4O2S — CID 155879673

IUPACN-methyl-3-pyrazol-1-yl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
SMILESCNC(=O)C1(n2cccn2)CCCN(C(=O)Cc2cccs2)C1
InChIInChI=1S/C16H20N4O2S/c1-17-15(22)16(20-9-4-7-18-20)6-3-8-19(12-16)14(21)11-13-5-2-10-23-13/h2,4-5,7,9-10H,3,6,8,11-12H2,1H3,(H,17,22)
InChIKeyUVVPJNKZYKPGNR-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.25
Rot. Bonds4

About N-methyl-3-pyrazol-1-yl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide

N-methyl-3-pyrazol-1-yl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide (PubChem CID 155879673) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-methyl-3-pyrazol-1-yl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-3-pyrazol-1-yl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
PubChem CID155879673
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-methyl-3-pyrazol-1-yl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
SMILESCNC(=O)C1(n2cccn2)CCCN(C(=O)Cc2cccs2)C1
InChIInChI=1S/C16H20N4O2S/c1-17-15(22)16(20-9-4-7-18-20)6-3-8-19(12-16)14(21)11-13-5-2-10-23-13/h2,4-5,7,9-10H,3,6,8,11-12H2,1H3,(H,17,22)
InChIKeyUVVPJNKZYKPGNR-UHFFFAOYSA-N
XLogP1.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[2-(2-methylphenoxy)acetyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879396
1-(4-fluorobenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879215
1-(3,5-dimethylbenzoyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879216
1-(cyclohexene-1-carbonyl)-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879681
azetidin-1-yl-[4-pyrazol-1-yl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanone;formic acid
CID 155879962
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155880024
1-[(6S)-11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-2-ylethanone
CID 97494383
1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796443
1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879248
1-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155878944
(5S)-N-(pyridin-4-ylmethyl)-9-(2-thiophen-2-ylacetyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 97396100

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-pyrazol-1-yl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-3-pyrazol-1-yl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide (CID 155879673) is N-methyl-3-pyrazol-1-yl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-3-pyrazol-1-yl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-3-pyrazol-1-yl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide is CNC(=O)C1(n2cccn2)CCCN(C(=O)Cc2cccs2)C1.
What is the InChIKey of N-methyl-3-pyrazol-1-yl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide?
The InChIKey is UVVPJNKZYKPGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-17-15(22)16(20-9-4-7-18-20)6-3-8-19(12-16)14(21)11-13-5-2-10-23-13/h2,4-5,7,9-10H,3,6,8,11-12H2,1H3,(H,17,22).
What are the key properties of N-methyl-3-pyrazol-1-yl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide?
N-methyl-3-pyrazol-1-yl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-pyrazol-1-yl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 155879673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).