4-amino-3-methoxy-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride

C14H26ClN3O4 — CID 120586927

IUPAC4-amino-3-methoxy-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
SMILESCOC(CN)CC(=O)N1CCN(C(=O)C2CCCO2)CC1.Cl
InChIInChI=1S/C14H25N3O4.ClH/c1-20-11(10-15)9-13(18)16-4-6-17(7-5-16)14(19)12-3-2-8-21-12;/h11-12H,2-10,15H2,1H3;1H
InChIKeySSMZKGWIQVNHSU-UHFFFAOYSA-N
MW335.83 g/mol
LogP-0.38
Rot. Bonds5

About 4-amino-3-methoxy-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride

4-amino-3-methoxy-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride (PubChem CID 120586927) has the molecular formula C14H26ClN3O4 and a molecular weight of 335.83 g/mol. Its IUPAC name is 4-amino-3-methoxy-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
PubChem CID120586927
Molecular FormulaC14H26ClN3O4
Molecular Weight335.83 g/mol
Exact Mass335.16
IUPAC Name4-amino-3-methoxy-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
SMILESCOC(CN)CC(=O)N1CCN(C(=O)C2CCCO2)CC1.Cl
InChIInChI=1S/C14H25N3O4.ClH/c1-20-11(10-15)9-13(18)16-4-6-17(7-5-16)14(19)12-3-2-8-21-12;/h11-12H,2-10,15H2,1H3;1H
InChIKeySSMZKGWIQVNHSU-UHFFFAOYSA-N
XLogP-0.38
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-3-methoxy-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride with MolForge

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Related Compounds

2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone
CID 94150662
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55202925
3-(ethylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one
CID 62837418
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 43251966
4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride
CID 120591144
methyl 4-oxo-4-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]butanoate
CID 110797511
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796627
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 60937548
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
3-(4-methoxyphenyl)-5-oxo-5-[4-(oxolane-2-carbonyl)piperazin-1-yl]pentanoic acid
CID 91953182
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 120783849
2-cyclohexyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 71944684

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride (CID 120586927) is 4-amino-3-methoxy-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride is COC(CN)CC(=O)N1CCN(C(=O)C2CCCO2)CC1.Cl.
What is the InChIKey of 4-amino-3-methoxy-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride?
The InChIKey is SSMZKGWIQVNHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4.ClH/c1-20-11(10-15)9-13(18)16-4-6-17(7-5-16)14(19)12-3-2-8-21-12;/h11-12H,2-10,15H2,1H3;1H.
What are the key properties of 4-amino-3-methoxy-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride?
4-amino-3-methoxy-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride has a molecular weight of 335.83 g/mol, XLogP of -0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 120586927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).