2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one

C12H23N3O2 — CID 54869581

IUPAC2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C12H23N3O2/c1-10(13)12(16)15-6-4-14(5-7-15)9-11-3-2-8-17-11/h10-11H,2-9,13H2,1H3
InChIKeyOFQKNHKEFMPJOE-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.34
Rot. Bonds3

About 2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one

2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one (PubChem CID 54869581) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one
PubChem CID54869581
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one
SMILESCC(N)C(=O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C12H23N3O2/c1-10(13)12(16)15-6-4-14(5-7-15)9-11-3-2-8-17-11/h10-11H,2-9,13H2,1H3
InChIKeyOFQKNHKEFMPJOE-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

(2S,3S)-2-amino-3-methyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-one
CID 61164059
(2S)-2-methyl-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]butan-1-one
CID 94811730
2-bromo-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
CID 114014436
(2R)-2-amino-3,3-dimethyl-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 103929357
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
(2S)-2-amino-4-methylsulfanyl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 61163866
4-amino-5-oxo-5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentanoic acid
CID 64890084
N-butan-2-yl-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113104298
2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869583
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 55091476
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 55337903
cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 94794131

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one (CID 54869581) is 2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one is CC(N)C(=O)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of 2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one?
The InChIKey is OFQKNHKEFMPJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-10(13)12(16)15-6-4-14(5-7-15)9-11-3-2-8-17-11/h10-11H,2-9,13H2,1H3.
What are the key properties of 2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one?
2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one 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 2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 54869581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).