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

C21H29N3OS — CID 3242770

IUPACN-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide
SMILESCCCC(=O)NC(C)C(c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H29N3OS/c1-3-8-20(25)22-17(2)21(19-11-7-16-26-19)24-14-12-23(13-15-24)18-9-5-4-6-10-18/h4-7,9-11,16-17,21H,3,8,12-15H2,1-2H3,(H,22,25)
InChIKeyZPOBFBGXGLHTPU-UHFFFAOYSA-N
MW371.55 g/mol
LogP3.92
Rot. Bonds7

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

N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide (PubChem CID 3242770) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide.

Molecular Properties

Compound NameN-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide
PubChem CID3242770
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC NameN-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide
SMILESCCCC(=O)NC(C)C(c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H29N3OS/c1-3-8-20(25)22-17(2)21(19-11-7-16-26-19)24-14-12-23(13-15-24)18-9-5-4-6-10-18/h4-7,9-11,16-17,21H,3,8,12-15H2,1-2H3,(H,22,25)
InChIKeyZPOBFBGXGLHTPU-UHFFFAOYSA-N
XLogP3.92
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 53.92
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]butanamide?
The IUPAC name of N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide (CID 3242770) is N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide.
What is the SMILES notation for N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide?
The canonical SMILES for N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide is CCCC(=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]butanamide?
The InChIKey is ZPOBFBGXGLHTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-3-8-20(25)22-17(2)21(19-11-7-16-26-19)24-14-12-23(13-15-24)18-9-5-4-6-10-18/h4-7,9-11,16-17,21H,3,8,12-15H2,1-2H3,(H,22,25).
What are the key properties of N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide?
N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide has a molecular weight of 371.55 g/mol, XLogP of 3.92, 7 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]butanamide is sourced from PubChem (CID 3242770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).