[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride

C15H24Cl3N3O2S — CID 120797091

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC[C@H]1CC[C@@H](C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)O1
InChIInChI=1S/C15H22ClN3O2S.2ClH/c16-14-4-2-12(22-14)10-18-5-7-19(8-6-18)15(20)13-3-1-11(9-17)21-13;;/h2,4,11,13H,1,3,5-10,17H2;2*1H/t11-,13+;;/m1../s1
InChIKeyFRNJGKGITIHSEL-FZIZHOOBSA-N
MW416.80 g/mol
LogP2.40
Rot. Bonds4

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride (PubChem CID 120797091) has the molecular formula C15H24Cl3N3O2S and a molecular weight of 416.80 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
PubChem CID120797091
Molecular FormulaC15H24Cl3N3O2S
Molecular Weight416.80 g/mol
Exact Mass415.07
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC[C@H]1CC[C@@H](C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)O1
InChIInChI=1S/C15H22ClN3O2S.2ClH/c16-14-4-2-12(22-14)10-18-5-7-19(8-6-18)15(20)13-3-1-11(9-17)21-13;;/h2,4,11,13H,1,3,5-10,17H2;2*1H/t11-,13+;;/m1../s1
InChIKeyFRNJGKGITIHSEL-FZIZHOOBSA-N
XLogP2.40
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.80
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]methanone
CID 120797096
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 120798360
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 120782461
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119832696
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120789025
1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone
CID 120790270
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 103813296
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120797171
2-(aminomethyl)-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]butan-1-one
CID 65230256
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-piperidin-3-ylmethanone
CID 60937005
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120797525
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 120797434

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride (CID 120797091) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride is Cl.Cl.NC[C@H]1CC[C@@H](C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)O1.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is FRNJGKGITIHSEL-FZIZHOOBSA-N. The full InChI is InChI=1S/C15H22ClN3O2S.2ClH/c16-14-4-2-12(22-14)10-18-5-7-19(8-6-18)15(20)13-3-1-11(9-17)21-13;;/h2,4,11,13H,1,3,5-10,17H2;2*1H/t11-,13+;;/m1../s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 416.80 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 120797091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).