[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C13H25N3O2 — CID 43251966

IUPAC[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCC(CN)CN1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C13H25N3O2/c1-11(9-14)10-15-4-6-16(7-5-15)13(17)12-3-2-8-18-12/h11-12H,2-10,14H2,1H3
InChIKeyHRACMYITOWMJHB-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.10
Rot. Bonds4

About [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 43251966) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID43251966
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCC(CN)CN1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C13H25N3O2/c1-11(9-14)10-15-4-6-16(7-5-15)13(17)12-3-2-8-18-12/h11-12H,2-10,14H2,1H3
InChIKeyHRACMYITOWMJHB-UHFFFAOYSA-N
XLogP-0.10
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55202925
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657
N-ethyl-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111302599
2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 63336105
[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 43251431
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
4-amino-3-methoxy-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 120586927
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 2077821
2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile
CID 27280952
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107174530
[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2-methylcyclopentyl)methanone
CID 107174533
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 63308795

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 43251966) is [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone is CC(CN)CN1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is HRACMYITOWMJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(9-14)10-15-4-6-16(7-5-15)13(17)12-3-2-8-18-12/h11-12H,2-10,14H2,1H3.
What are the key properties of [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 255.36 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 43251966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).