(2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide

C20H25N3O2S — CID 9043467

IUPAC(2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESC[C@@H](C(=O)NCCc1cccs1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2S/c1-16(19(24)21-10-9-18-8-5-15-26-18)22-11-13-23(14-12-22)20(25)17-6-3-2-4-7-17/h2-8,15-16H,9-14H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyZPYACDNNWCXXLZ-INIZCTEOSA-N
MW371.51 g/mol
LogP2.25
Rot. Bonds6

About (2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide

(2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 9043467) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is (2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID9043467
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name(2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESC[C@@H](C(=O)NCCc1cccs1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2S/c1-16(19(24)21-10-9-18-8-5-15-26-18)22-11-13-23(14-12-22)20(25)17-6-3-2-4-7-17/h2-8,15-16H,9-14H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyZPYACDNNWCXXLZ-INIZCTEOSA-N
XLogP2.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858737
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9033638
2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78835231
(2R)-2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 8596856
1-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134654
1-[(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134656
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 60505820
(2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9037388
2-(3,5-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858751
(2S)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 8795096
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78815800
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78807578

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of (2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide (CID 9043467) is (2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for (2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for (2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide is C[C@@H](C(=O)NCCc1cccs1)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of (2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is ZPYACDNNWCXXLZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-16(19(24)21-10-9-18-8-5-15-26-18)22-11-13-23(14-12-22)20(25)17-6-3-2-4-7-17/h2-8,15-16H,9-14H2,1H3,(H,21,24)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide?
(2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 371.51 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 9043467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).