2-[[(1R)-2-methyl-1-phenylpropyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

C21H27N3O2S — CID 9132808

IUPAC2-[[(1R)-2-methyl-1-phenylpropyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(C)[C@@H](NCC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C21H27N3O2S/c1-16(2)20(17-7-4-3-5-8-17)22-15-19(25)23-10-12-24(13-11-23)21(26)18-9-6-14-27-18/h3-9,14,16,20,22H,10-13,15H2,1-2H3/t20-/m1/s1
InChIKeyWDIYRNPBQCACMZ-HXUWFJFHSA-N
MW385.53 g/mol
LogP3.02
Rot. Bonds6

About 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

2-[[(1R)-2-methyl-1-phenylpropyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 9132808) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[[(1R)-2-methyl-1-phenylpropyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID9132808
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name2-[[(1R)-2-methyl-1-phenylpropyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(C)[C@@H](NCC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C21H27N3O2S/c1-16(2)20(17-7-4-3-5-8-17)22-15-19(25)23-10-12-24(13-11-23)21(26)18-9-6-14-27-18/h3-9,14,16,20,22H,10-13,15H2,1-2H3/t20-/m1/s1
InChIKeyWDIYRNPBQCACMZ-HXUWFJFHSA-N
XLogP3.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1154208
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]ethanone
CID 9132300
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]ethanone
CID 9132302
2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1-piperidin-1-ylethanone
CID 60673756
N-(1-phenylethyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 18191699
2-(2-ethylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 43015996
N-(2-phenylpropyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 18191742
(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoic acid
CID 28708467
[(1R)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium
CID 8710418
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 9132808) is 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is CC(C)[C@@H](NCC(=O)N1CCN(C(=O)c2cccs2)CC1)c1ccccc1.
What is the InChIKey of 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is WDIYRNPBQCACMZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-16(2)20(17-7-4-3-5-8-17)22-15-19(25)23-10-12-24(13-11-23)21(26)18-9-6-14-27-18/h3-9,14,16,20,22H,10-13,15H2,1-2H3/t20-/m1/s1.
What are the key properties of 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 385.53 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-2-methyl-1-phenylpropyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 9132808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).