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

C17H20N4OS — CID 71960807

IUPACN-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-3-ylprop-2-enamide
SMILESO=C(C=Cc1ccsc1)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H20N4OS/c22-17(2-1-15-5-10-23-13-15)20-11-14-3-8-21(9-4-14)16-12-18-6-7-19-16/h1-2,5-7,10,12-14H,3-4,8-9,11H2,(H,20,22)
InChIKeyGTZYLRZXNNTMOU-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.58
Rot. Bonds5

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

N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-3-ylprop-2-enamide (PubChem CID 71960807) 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-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-3-ylprop-2-enamide
PubChem CID71960807
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC NameN-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-3-ylprop-2-enamide
SMILESO=C(C=Cc1ccsc1)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H20N4OS/c22-17(2-1-15-5-10-23-13-15)20-11-14-3-8-21(9-4-14)16-12-18-6-7-19-16/h1-2,5-7,10,12-14H,3-4,8-9,11H2,(H,20,22)
InChIKeyGTZYLRZXNNTMOU-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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Related Compounds

3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 71960811
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 71960810
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide
CID 171137023
(E)-3-(3,4-dimethoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 121109116
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107808
3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide
CID 121109026
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide
CID 71960802
(E)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide
CID 71786750
3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide
CID 121109042
4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 71786550
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxane-4-carboxamide
CID 131911346

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-3-ylprop-2-enamide (CID 71960807) is N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-3-ylprop-2-enamide is O=C(C=Cc1ccsc1)NCC1CCN(c2cnccn2)CC1.
What is the InChIKey of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-3-ylprop-2-enamide?
The InChIKey is GTZYLRZXNNTMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c22-17(2-1-15-5-10-23-13-15)20-11-14-3-8-21(9-4-14)16-12-18-6-7-19-16/h1-2,5-7,10,12-14H,3-4,8-9,11H2,(H,20,22).
What are the key properties of N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-3-ylprop-2-enamide?
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-3-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-3-ylprop-2-enamide is sourced from PubChem (CID 71960807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).