2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide

C22H30N4O2S — CID 78835231

IUPAC2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
SMILESCC(C(=O)NCCc1cccs1)N1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C22H30N4O2S/c1-18(22(28)23-10-9-20-8-5-15-29-20)26-13-11-25(12-14-26)17-21(27)24-16-19-6-3-2-4-7-19/h2-8,15,18H,9-14,16-17H2,1H3,(H,23,28)(H,24,27)
InChIKeyUYGADFJGSQKDQL-UHFFFAOYSA-N
MW414.58 g/mol
LogP1.73
Rot. Bonds9

About 2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide

2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 78835231) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is 2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID78835231
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC Name2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
SMILESCC(C(=O)NCCc1cccs1)N1CCN(CC(=O)NCc2ccccc2)CC1
InChIInChI=1S/C22H30N4O2S/c1-18(22(28)23-10-9-20-8-5-15-29-20)26-13-11-25(12-14-26)17-21(27)24-16-19-6-3-2-4-7-19/h2-8,15,18H,9-14,16-17H2,1H3,(H,23,28)(H,24,27)
InChIKeyUYGADFJGSQKDQL-UHFFFAOYSA-N
XLogP1.73
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9033638
2-(4-ethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858737
(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
(2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9043467
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
N-benzyl-2-[4-(1-oxo-1-phenylpropan-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 141035294
(2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 30637178
(2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9037388
(2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8773224
4-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide
CID 4521959

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide (CID 78835231) is 2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide is CC(C(=O)NCCc1cccs1)N1CCN(CC(=O)NCc2ccccc2)CC1.
What is the InChIKey of 2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is UYGADFJGSQKDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-18(22(28)23-10-9-20-8-5-15-29-20)26-13-11-25(12-14-26)17-21(27)24-16-19-6-3-2-4-7-19/h2-8,15,18H,9-14,16-17H2,1H3,(H,23,28)(H,24,27).
What are the key properties of 2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide?
2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 414.58 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 78835231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).