N-(3-imidazol-1-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide

C15H21N5OS — CID 71920949

IUPACN-(3-imidazol-1-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C(NCCCn1ccnc1)N1CCN(c2cccs2)CC1
InChIInChI=1S/C15H21N5OS/c21-15(17-4-2-6-18-7-5-16-13-18)20-10-8-19(9-11-20)14-3-1-12-22-14/h1,3,5,7,12-13H,2,4,6,8-11H2,(H,17,21)
InChIKeyGAFOSNVZQPIJNF-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.87
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide

N-(3-imidazol-1-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide (PubChem CID 71920949) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide
PubChem CID71920949
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C(NCCCn1ccnc1)N1CCN(c2cccs2)CC1
InChIInChI=1S/C15H21N5OS/c21-15(17-4-2-6-18-7-5-16-13-18)20-10-8-19(9-11-20)14-3-1-12-22-14/h1,3,5,7,12-13H,2,4,6,8-11H2,(H,17,21)
InChIKeyGAFOSNVZQPIJNF-UHFFFAOYSA-N
XLogP1.87
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide (CID 71920949) is N-(3-imidazol-1-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide is O=C(NCCCn1ccnc1)N1CCN(c2cccs2)CC1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide?
The InChIKey is GAFOSNVZQPIJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c21-15(17-4-2-6-18-7-5-16-13-18)20-10-8-19(9-11-20)14-3-1-12-22-14/h1,3,5,7,12-13H,2,4,6,8-11H2,(H,17,21).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide?
N-(3-imidazol-1-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 71920949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).