(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide

C20H27N3OS — CID 9033638

IUPAC(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESC[C@H](C(=O)NCCc1cccs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H27N3OS/c1-17(20(24)21-10-9-19-8-5-15-25-19)23-13-11-22(12-14-23)16-18-6-3-2-4-7-18/h2-8,15,17H,9-14,16H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeySHCKAJTVNWCPSY-QGZVFWFLSA-N
MW357.52 g/mol
LogP2.61
Rot. Bonds7

About (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide

(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 9033638) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID9033638
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESC[C@H](C(=O)NCCc1cccs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H27N3OS/c1-17(20(24)21-10-9-19-8-5-15-25-19)23-13-11-22(12-14-23)16-18-6-3-2-4-7-18/h2-8,15,17H,9-14,16H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeySHCKAJTVNWCPSY-QGZVFWFLSA-N
XLogP2.61
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 ≤ 52.61
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-phenylethyl)propanamide
CID 1439293
2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78835231
2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide
CID 11793239
(2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9043467
(2S)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 9127313
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
CID 9275184
(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
(2S)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8834711
(2R)-N-phenyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720809
2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 55701772

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide (CID 9033638) is (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide is C[C@H](C(=O)NCCc1cccs1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is SHCKAJTVNWCPSY-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-17(20(24)21-10-9-19-8-5-15-25-19)23-13-11-22(12-14-23)16-18-6-3-2-4-7-18/h2-8,15,17H,9-14,16H2,1H3,(H,21,24)/t17-/m1/s1.
What are the key properties of (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide?
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 357.52 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 9033638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).