[4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone

C12H23N3O2 — CID 55202925

IUPAC[4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCC(CN)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C12H23N3O2/c1-10(9-13)14-4-6-15(7-5-14)12(16)11-3-2-8-17-11/h10-11H,2-9,13H2,1H3
InChIKeyIQBOSBDVWIPOGB-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.34
Rot. Bonds3

About [4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 55202925) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is [4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID55202925
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name[4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCC(CN)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C12H23N3O2/c1-10(9-13)14-4-6-15(7-5-14)12(16)11-3-2-8-17-11/h10-11H,2-9,13H2,1H3
InChIKeyIQBOSBDVWIPOGB-UHFFFAOYSA-N
XLogP-0.34
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-amino-2-methylpropyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 43251966
oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone
CID 110399555
[4-(1-aminopropan-2-yl)piperazin-1-yl]-cyclohexylmethanone
CID 63337916
[4-(1-aminopropan-2-yl)piperazin-1-yl]-cycloheptylmethanone
CID 63337316
ethyl (2R)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]pentanoate
CID 95346669
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
2-methyl-3-(methylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 79195456
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 60937548
(2R)-2-amino-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]pentan-1-one
CID 103793993
[(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 95627899
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 55202925) is [4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is CC(CN)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is IQBOSBDVWIPOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-10(9-13)14-4-6-15(7-5-14)12(16)11-3-2-8-17-11/h10-11H,2-9,13H2,1H3.
What are the key properties of [4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 241.33 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminopropan-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 55202925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).