N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide

C17H20N4OS — CID 71960810

IUPACN-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H20N4OS/c22-17(4-3-15-2-1-11-23-15)20-12-14-5-9-21(10-6-14)16-13-18-7-8-19-16/h1-4,7-8,11,13-14H,5-6,9-10,12H2,(H,20,22)
InChIKeyOJEMXUSUKZEYNT-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.58
Rot. Bonds5

About N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide

N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide (PubChem CID 71960810) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide
PubChem CID71960810
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC NameN-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H20N4OS/c22-17(4-3-15-2-1-11-23-15)20-12-14-5-9-21(10-6-14)16-13-18-7-8-19-16/h1-4,7-8,11,13-14H,5-6,9-10,12H2,(H,20,22)
InChIKeyOJEMXUSUKZEYNT-UHFFFAOYSA-N
XLogP2.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide (CID 71960810) is N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide is O=C(C=Cc1cccs1)NCC1CCN(c2cnccn2)CC1.
What is the InChIKey of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
The InChIKey is OJEMXUSUKZEYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c22-17(4-3-15-2-1-11-23-15)20-12-14-5-9-21(10-6-14)16-13-18-7-8-19-16/h1-4,7-8,11,13-14H,5-6,9-10,12H2,(H,20,22).
What are the key properties of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide?
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide has a molecular weight of 328.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 71960810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).