[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride

C15H26ClN3O4 — CID 120783849

IUPAC[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)C3CCCO3)CC2)O1
InChIInChI=1S/C15H25N3O4.ClH/c16-10-11-3-4-13(22-11)15(20)18-7-5-17(6-8-18)14(19)12-2-1-9-21-12;/h11-13H,1-10,16H2;1H/t11-,12?,13+;/m1./s1
InChIKeyDGEQMGYQJZOAEE-CSYBZOQDSA-N
MW347.84 g/mol
LogP-0.24
Rot. Bonds3

About [4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride

[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride (PubChem CID 120783849) has the molecular formula C15H26ClN3O4 and a molecular weight of 347.84 g/mol. Its IUPAC name is [4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
PubChem CID120783849
Molecular FormulaC15H26ClN3O4
Molecular Weight347.84 g/mol
Exact Mass347.16
IUPAC Name[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)C3CCCO3)CC2)O1
InChIInChI=1S/C15H25N3O4.ClH/c16-10-11-3-4-13(22-11)15(20)18-7-5-17(6-8-18)14(19)12-2-1-9-21-12;/h11-13H,1-10,16H2;1H/t11-,12?,13+;/m1./s1
InChIKeyDGEQMGYQJZOAEE-CSYBZOQDSA-N
XLogP-0.24
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride with MolForge

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Related Compounds

[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone
CID 120790356
[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 120793203
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 120795127
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 120797158
1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-cyclohexylethanone
CID 120791454
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 120785954
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone
CID 120800570
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethylmorpholin-4-yl)methanone;hydrochloride
CID 120785589
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 120797366
2-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one;dihydrochloride
CID 120801445
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 120795128
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120782805

Frequently Asked Questions

What is the IUPAC name of [4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride?
The IUPAC name of [4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride (CID 120783849) is [4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride.
What is the SMILES notation for [4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride?
The canonical SMILES for [4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride is Cl.NC[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)C3CCCO3)CC2)O1.
What is the InChIKey of [4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride?
The InChIKey is DGEQMGYQJZOAEE-CSYBZOQDSA-N. The full InChI is InChI=1S/C15H25N3O4.ClH/c16-10-11-3-4-13(22-11)15(20)18-7-5-17(6-8-18)14(19)12-2-1-9-21-12;/h11-13H,1-10,16H2;1H/t11-,12?,13+;/m1./s1.
What are the key properties of [4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride?
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride has a molecular weight of 347.84 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride is sourced from PubChem (CID 120783849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).