N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide

C17H19FN4OS — CID 171137023

IUPACN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide
SMILESO=C(C=Cc1ccsc1)NCC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C17H19FN4OS/c18-15-10-20-17(21-11-15)22-6-3-13(4-7-22)9-19-16(23)2-1-14-5-8-24-12-14/h1-2,5,8,10-13H,3-4,6-7,9H2,(H,19,23)
InChIKeyFRJQHYGYZWENQC-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.72
Rot. Bonds5

About N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide

N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide (PubChem CID 171137023) has the molecular formula C17H19FN4OS and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide
PubChem CID171137023
Molecular FormulaC17H19FN4OS
Molecular Weight346.43 g/mol
Exact Mass346.13
IUPAC NameN-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide
SMILESO=C(C=Cc1ccsc1)NCC1CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C17H19FN4OS/c18-15-10-20-17(21-11-15)22-6-3-13(4-7-22)9-19-16(23)2-1-14-5-8-24-12-14/h1-2,5,8,10-13H,3-4,6-7,9H2,(H,19,23)
InChIKeyFRJQHYGYZWENQC-UHFFFAOYSA-N
XLogP2.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-3-ylprop-2-enamide
CID 71960807
(E)-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide
CID 71786750
N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide
CID 71960802
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 91814073
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 91814099
3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 71960811
1-(3,4-dichlorophenyl)-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]urea
CID 91814176
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 91814160
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-thiophen-2-ylprop-2-enamide
CID 71960810
3-(dimethylamino)-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]benzamide
CID 91814088
3-thiophen-2-yl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]prop-2-enamide
CID 71961623
(E)-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-thiophen-3-ylprop-2-en-1-one
CID 9168487

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide (CID 171137023) is N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide is O=C(C=Cc1ccsc1)NCC1CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide?
The InChIKey is FRJQHYGYZWENQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4OS/c18-15-10-20-17(21-11-15)22-6-3-13(4-7-22)9-19-16(23)2-1-14-5-8-24-12-14/h1-2,5,8,10-13H,3-4,6-7,9H2,(H,19,23).
What are the key properties of N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide?
N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide has a molecular weight of 346.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 171137023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).