N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide

C19H25N3OS — CID 3239304

IUPACN-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide
SMILESCC(=O)NC(C)C(c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H25N3OS/c1-15(20-16(2)23)19(18-9-6-14-24-18)22-12-10-21(11-13-22)17-7-4-3-5-8-17/h3-9,14-15,19H,10-13H2,1-2H3,(H,20,23)
InChIKeyWTFAUNAWIYLDCO-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.14
Rot. Bonds5

About N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide

N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide (PubChem CID 3239304) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide
PubChem CID3239304
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide
SMILESCC(=O)NC(C)C(c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H25N3OS/c1-15(20-16(2)23)19(18-9-6-14-24-18)22-12-10-21(11-13-22)17-7-4-3-5-8-17/h3-9,14-15,19H,10-13H2,1-2H3,(H,20,23)
InChIKeyWTFAUNAWIYLDCO-UHFFFAOYSA-N
XLogP3.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide?
The IUPAC name of N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide (CID 3239304) is N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide.
What is the SMILES notation for N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide?
The canonical SMILES for N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide is CC(=O)NC(C)C(c1cccs1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide?
The InChIKey is WTFAUNAWIYLDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-15(20-16(2)23)19(18-9-6-14-24-18)22-12-10-21(11-13-22)17-7-4-3-5-8-17/h3-9,14-15,19H,10-13H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide?
N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide has a molecular weight of 343.50 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]acetamide is sourced from PubChem (CID 3239304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).