N-[2-[4-(2-oxo-3H-pyridine-3-carbonyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide

C17H20N4O3S — CID 75355231

IUPACN-[2-[4-(2-oxo-3H-pyridine-3-carbonyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide
SMILESO=C(NCCN1CCN(C(=O)C2C=CC=NC2=O)CC1)c1ccsc1
InChIInChI=1S/C17H20N4O3S/c22-15(13-3-11-25-12-13)19-5-6-20-7-9-21(10-8-20)17(24)14-2-1-4-18-16(14)23/h1-4,11-12,14H,5-10H2,(H,19,22)
InChIKeyQPAAMEFXEYWDKW-UHFFFAOYSA-N
MW360.44 g/mol
LogP0.41
Rot. Bonds5

About N-[2-[4-(2-oxo-3H-pyridine-3-carbonyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide

N-[2-[4-(2-oxo-3H-pyridine-3-carbonyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide (PubChem CID 75355231) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[2-[4-(2-oxo-3H-pyridine-3-carbonyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-oxo-3H-pyridine-3-carbonyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide
PubChem CID75355231
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-[2-[4-(2-oxo-3H-pyridine-3-carbonyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide
SMILESO=C(NCCN1CCN(C(=O)C2C=CC=NC2=O)CC1)c1ccsc1
InChIInChI=1S/C17H20N4O3S/c22-15(13-3-11-25-12-13)19-5-6-20-7-9-21(10-8-20)17(24)14-2-1-4-18-16(14)23/h1-4,11-12,14H,5-10H2,(H,19,22)
InChIKeyQPAAMEFXEYWDKW-UHFFFAOYSA-N
XLogP0.41
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-oxo-3H-pyridine-3-carbonyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[4-(2-oxo-3H-pyridine-3-carbonyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide (CID 75355231) is N-[2-[4-(2-oxo-3H-pyridine-3-carbonyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2-oxo-3H-pyridine-3-carbonyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[4-(2-oxo-3H-pyridine-3-carbonyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide is O=C(NCCN1CCN(C(=O)C2C=CC=NC2=O)CC1)c1ccsc1.
What is the InChIKey of N-[2-[4-(2-oxo-3H-pyridine-3-carbonyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide?
The InChIKey is QPAAMEFXEYWDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c22-15(13-3-11-25-12-13)19-5-6-20-7-9-21(10-8-20)17(24)14-2-1-4-18-16(14)23/h1-4,11-12,14H,5-10H2,(H,19,22).
What are the key properties of N-[2-[4-(2-oxo-3H-pyridine-3-carbonyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide?
N-[2-[4-(2-oxo-3H-pyridine-3-carbonyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-oxo-3H-pyridine-3-carbonyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 75355231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).