ethane;N-pyrazin-2-yl-1-thiophen-2-ylpiperidine-4-carboxamide

C16H22N4OS — CID 143235359

IUPACethane;N-pyrazin-2-yl-1-thiophen-2-ylpiperidine-4-carboxamide
SMILESCC.O=C(Nc1cnccn1)C1CCN(c2cccs2)CC1
InChIInChI=1S/C14H16N4OS.C2H6/c19-14(17-12-10-15-5-6-16-12)11-3-7-18(8-4-11)13-2-1-9-20-13;1-2/h1-2,5-6,9-11H,3-4,7-8H2,(H,16,17,19);1-2H3
InChIKeyWKTFIKOIUCFKFL-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.42
Rot. Bonds3

About ethane;N-pyrazin-2-yl-1-thiophen-2-ylpiperidine-4-carboxamide

ethane;N-pyrazin-2-yl-1-thiophen-2-ylpiperidine-4-carboxamide (PubChem CID 143235359) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is ethane;N-pyrazin-2-yl-1-thiophen-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Nameethane;N-pyrazin-2-yl-1-thiophen-2-ylpiperidine-4-carboxamide
PubChem CID143235359
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Nameethane;N-pyrazin-2-yl-1-thiophen-2-ylpiperidine-4-carboxamide
SMILESCC.O=C(Nc1cnccn1)C1CCN(c2cccs2)CC1
InChIInChI=1S/C14H16N4OS.C2H6/c19-14(17-12-10-15-5-6-16-12)11-3-7-18(8-4-11)13-2-1-9-20-13;1-2/h1-2,5-6,9-11H,3-4,7-8H2,(H,16,17,19);1-2H3
InChIKeyWKTFIKOIUCFKFL-UHFFFAOYSA-N
XLogP3.42
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyrazin-2-ylpiperidine-4-carboxamide
CID 43616167
(3S)-3-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 124705094
N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2315676
4-N-pyrazin-2-yl-1-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-1,4-dicarboxamide
CID 47050033
(2R,4R)-2-ethyl-N-pyrazin-2-yloxane-4-carboxamide
CID 97309238
N-(4-methyl-2-pyridinyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947252
(2S)-4-methyl-2-[[4-(pyrazin-2-ylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 126482980
N-naphthalen-1-yl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 43815622
N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797507
1-N-pyrazin-2-ylpiperidine-1,4-dicarboxamide
CID 110492224
N-pyrazin-2-ylpiperidine-3-carboxamide
CID 43616168
N-[2-(3-methoxyphenyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 72929287

Frequently Asked Questions

What is the IUPAC name of ethane;N-pyrazin-2-yl-1-thiophen-2-ylpiperidine-4-carboxamide?
The IUPAC name of ethane;N-pyrazin-2-yl-1-thiophen-2-ylpiperidine-4-carboxamide (CID 143235359) is ethane;N-pyrazin-2-yl-1-thiophen-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for ethane;N-pyrazin-2-yl-1-thiophen-2-ylpiperidine-4-carboxamide?
The canonical SMILES for ethane;N-pyrazin-2-yl-1-thiophen-2-ylpiperidine-4-carboxamide is CC.O=C(Nc1cnccn1)C1CCN(c2cccs2)CC1.
What is the InChIKey of ethane;N-pyrazin-2-yl-1-thiophen-2-ylpiperidine-4-carboxamide?
The InChIKey is WKTFIKOIUCFKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS.C2H6/c19-14(17-12-10-15-5-6-16-12)11-3-7-18(8-4-11)13-2-1-9-20-13;1-2/h1-2,5-6,9-11H,3-4,7-8H2,(H,16,17,19);1-2H3.
What are the key properties of ethane;N-pyrazin-2-yl-1-thiophen-2-ylpiperidine-4-carboxamide?
ethane;N-pyrazin-2-yl-1-thiophen-2-ylpiperidine-4-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-pyrazin-2-yl-1-thiophen-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 143235359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).