N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]butanamide

C19H23N3O2S — CID 647093

IUPACN-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C19H23N3O2S/c1-2-4-18(23)20-15-6-8-16(9-7-15)21-10-12-22(13-11-21)19(24)17-5-3-14-25-17/h3,5-9,14H,2,4,10-13H2,1H3,(H,20,23)
InChIKeyIKSNLAFSHKGUIE-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.45
Rot. Bonds5

About N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]butanamide

N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]butanamide (PubChem CID 647093) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]butanamide
PubChem CID647093
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1
InChIInChI=1S/C19H23N3O2S/c1-2-4-18(23)20-15-6-8-16(9-7-15)21-10-12-22(13-11-21)19(24)17-5-3-14-25-17/h3,5-9,14H,2,4,10-13H2,1H3,(H,20,23)
InChIKeyIKSNLAFSHKGUIE-UHFFFAOYSA-N
XLogP3.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]butanamide?
The IUPAC name of N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]butanamide (CID 647093) is N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]butanamide.
What is the SMILES notation for N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]butanamide?
The canonical SMILES for N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]butanamide is CCCC(=O)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]butanamide?
The InChIKey is IKSNLAFSHKGUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-2-4-18(23)20-15-6-8-16(9-7-15)21-10-12-22(13-11-21)19(24)17-5-3-14-25-17/h3,5-9,14H,2,4,10-13H2,1H3,(H,20,23).
What are the key properties of N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]butanamide?
N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]butanamide has a molecular weight of 357.48 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]butanamide is sourced from PubChem (CID 647093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).