N-[[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide

C16H18N4O2S — CID 16671767

IUPACN-[[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1CCCN(C(=O)c2cnccn2)C1)c1cccs1
InChIInChI=1S/C16H18N4O2S/c21-15(14-4-2-8-23-14)19-9-12-3-1-7-20(11-12)16(22)13-10-17-5-6-18-13/h2,4-6,8,10,12H,1,3,7,9,11H2,(H,19,21)/t12-/m1/s1
InChIKeyQMCXDIREPYGFGP-GFCCVEGCSA-N
MW330.41 g/mol
LogP1.82
Rot. Bonds4

About N-[[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide

N-[[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 16671767) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID16671767
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-[[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H]1CCCN(C(=O)c2cnccn2)C1)c1cccs1
InChIInChI=1S/C16H18N4O2S/c21-15(14-4-2-8-23-14)19-9-12-3-1-7-20(11-12)16(22)13-10-17-5-6-18-13/h2,4-6,8,10,12H,1,3,7,9,11H2,(H,19,21)/t12-/m1/s1
InChIKeyQMCXDIREPYGFGP-GFCCVEGCSA-N
XLogP1.82
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide (CID 16671767) is N-[[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide is O=C(NC[C@H]1CCCN(C(=O)c2cnccn2)C1)c1cccs1.
What is the InChIKey of N-[[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is QMCXDIREPYGFGP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N4O2S/c21-15(14-4-2-8-23-14)19-9-12-3-1-7-20(11-12)16(22)13-10-17-5-6-18-13/h2,4-6,8,10,12H,1,3,7,9,11H2,(H,19,21)/t12-/m1/s1.
What are the key properties of N-[[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide?
N-[[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 16671767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).