N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide

C20H27N3OS — CID 16931428

IUPACN-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide
SMILESCN1CCN(C(CNC(=O)CCc2ccccc2)c2ccsc2)CC1
InChIInChI=1S/C20H27N3OS/c1-22-10-12-23(13-11-22)19(18-9-14-25-16-18)15-21-20(24)8-7-17-5-3-2-4-6-17/h2-6,9,14,16,19H,7-8,10-13,15H2,1H3,(H,21,24)
InChIKeyNLBXJJWETRTELO-UHFFFAOYSA-N
MW357.52 g/mol
LogP2.79
Rot. Bonds7

About N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide

N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide (PubChem CID 16931428) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide
PubChem CID16931428
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide
SMILESCN1CCN(C(CNC(=O)CCc2ccccc2)c2ccsc2)CC1
InChIInChI=1S/C20H27N3OS/c1-22-10-12-23(13-11-22)19(18-9-14-25-16-18)15-21-20(24)8-7-17-5-3-2-4-6-17/h2-6,9,14,16,19H,7-8,10-13,15H2,1H3,(H,21,24)
InChIKeyNLBXJJWETRTELO-UHFFFAOYSA-N
XLogP2.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-(4-phenylphenyl)acetamide
CID 16931437
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide
CID 16931459
N-(2-phenylethyl)-N'-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848792
2-(4-chlorophenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 30604637
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 16931487
2-(2-fluorophenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 16931482
N'-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 16932487
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzamide
CID 30604751
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931154
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide
CID 51728290
2-(4-fluorophenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 30604861
2-(3-methoxyphenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 51589874

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide (CID 16931428) is N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide is CN1CCN(C(CNC(=O)CCc2ccccc2)c2ccsc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide?
The InChIKey is NLBXJJWETRTELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-22-10-12-23(13-11-22)19(18-9-14-25-16-18)15-21-20(24)8-7-17-5-3-2-4-6-17/h2-6,9,14,16,19H,7-8,10-13,15H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide?
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide has a molecular weight of 357.52 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide is sourced from PubChem (CID 16931428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).