[(1R)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium

C19H23ClN3O2S+ — CID 8710418

IUPAC[(1R)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)N1CCN(C(=O)c2cccs2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O2S/c1-14(15-4-2-5-16(20)12-15)21-13-18(24)22-7-9-23(10-8-22)19(25)17-6-3-11-26-17/h2-6,11-12,14,21H,7-10,13H2,1H3/p+1/t14-/m1/s1
InChIKeySIQVULJQPJQQMZ-CQSZACIVSA-O
MW392.93 g/mol
LogP2.01
Rot. Bonds5

About [(1R)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium

[(1R)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium (PubChem CID 8710418) has the molecular formula C19H23ClN3O2S+ and a molecular weight of 392.93 g/mol. Its IUPAC name is [(1R)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium
PubChem CID8710418
Molecular FormulaC19H23ClN3O2S+
Molecular Weight392.93 g/mol
Exact Mass392.12
IUPAC Name[(1R)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium
SMILESC[C@@H]([NH2+]CC(=O)N1CCN(C(=O)c2cccs2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O2S/c1-14(15-4-2-5-16(20)12-15)21-13-18(24)22-7-9-23(10-8-22)19(25)17-6-3-11-26-17/h2-6,11-12,14,21H,7-10,13H2,1H3/p+1/t14-/m1/s1
InChIKeySIQVULJQPJQQMZ-CQSZACIVSA-O
XLogP2.01
TPSA57.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium with MolForge

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Related Compounds

[(1R)-1-(furan-2-yl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium
CID 8921319
[(1S)-1-(furan-2-yl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium
CID 8921314
2-(5-chloro-2-methylanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 18096648
N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46591771
2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022679
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 17414280
2-[[(1R)-2-methyl-1-phenylpropyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9132808
[4-(3-chlorophenyl)piperazin-4-ium-1-yl]-thiophen-2-ylmethanone
CID 5096434
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1154208
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium?
The IUPAC name of [(1R)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium (CID 8710418) is [(1R)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium.
What is the SMILES notation for [(1R)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium?
The canonical SMILES for [(1R)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium is C[C@@H]([NH2+]CC(=O)N1CCN(C(=O)c2cccs2)CC1)c1cccc(Cl)c1.
What is the InChIKey of [(1R)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium?
The InChIKey is SIQVULJQPJQQMZ-CQSZACIVSA-O. The full InChI is InChI=1S/C19H22ClN3O2S/c1-14(15-4-2-5-16(20)12-15)21-13-18(24)22-7-9-23(10-8-22)19(25)17-6-3-11-26-17/h2-6,11-12,14,21H,7-10,13H2,1H3/p+1/t14-/m1/s1.
What are the key properties of [(1R)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium?
[(1R)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium has a molecular weight of 392.93 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium is sourced from PubChem (CID 8710418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).