2-[2-aminoethyl(2-phenylethyl)amino]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone

C21H30N4OS — CID 120872372

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
SMILESNCCN(CCc1ccccc1)CC(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C21H30N4OS/c22-8-10-23(9-6-19-4-2-1-3-5-19)17-21(26)25-13-11-24(12-14-25)16-20-7-15-27-18-20/h1-5,7,15,18H,6,8-14,16-17,22H2
InChIKeyGCKNUJFYWRPOPX-UHFFFAOYSA-N
MW386.57 g/mol
LogP1.90
Rot. Bonds9

About 2-[2-aminoethyl(2-phenylethyl)amino]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone

2-[2-aminoethyl(2-phenylethyl)amino]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 120872372) has the molecular formula C21H30N4OS and a molecular weight of 386.57 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
PubChem CID120872372
Molecular FormulaC21H30N4OS
Molecular Weight386.57 g/mol
Exact Mass386.21
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
SMILESNCCN(CCc1ccccc1)CC(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C21H30N4OS/c22-8-10-23(9-6-19-4-2-1-3-5-19)17-21(26)25-13-11-24(12-14-25)16-20-7-15-27-18-20/h1-5,7,15,18H,6,8-14,16-17,22H2
InChIKeyGCKNUJFYWRPOPX-UHFFFAOYSA-N
XLogP1.90
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.57
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-aminoethyl(2-phenylethyl)amino]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[2-aminoethyl(2-phenylethyl)amino]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride
CID 120872205
2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]sulfanylacetic acid
CID 104569508
2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 9180756
3-(1,3-benzothiazol-2-yl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 9180739
(E)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide
CID 8849909
N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide
CID 120885888
2-naphthalen-2-ylsulfanyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 9180639
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide
CID 3354978
ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 54869915
2,2,3,3-tetrafluoro-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 103732222
5-chloro-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 54874778

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone (CID 120872372) is 2-[2-aminoethyl(2-phenylethyl)amino]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone is NCCN(CCc1ccccc1)CC(=O)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is GCKNUJFYWRPOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4OS/c22-8-10-23(9-6-19-4-2-1-3-5-19)17-21(26)25-13-11-24(12-14-25)16-20-7-15-27-18-20/h1-5,7,15,18H,6,8-14,16-17,22H2.
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
2-[2-aminoethyl(2-phenylethyl)amino]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 386.57 g/mol, XLogP of 1.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2-phenylethyl)amino]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 120872372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).