2-methyl-3-(methylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one

C14H25N3O3 — CID 79195456

IUPAC2-methyl-3-(methylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCNCC(C)C(=O)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C14H25N3O3/c1-11(10-15-2)13(18)16-5-7-17(8-6-16)14(19)12-4-3-9-20-12/h11-12,15H,3-10H2,1-2H3
InChIKeyYGNBGSCXJUOVBI-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.31
Rot. Bonds4

About 2-methyl-3-(methylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one

2-methyl-3-(methylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 79195456) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID79195456
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-methyl-3-(methylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCNCC(C)C(=O)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C14H25N3O3/c1-11(10-15-2)13(18)16-5-7-17(8-6-16)14(19)12-4-3-9-20-12/h11-12,15H,3-10H2,1-2H3
InChIKeyYGNBGSCXJUOVBI-UHFFFAOYSA-N
XLogP-0.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
[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
2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 119700521
[(2S)-oxolan-2-yl]-[(4S)-4-propan-2-ylazepan-1-yl]methanone
CID 95627899
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099
[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 63263865
2-methyl-3-(methylamino)-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119886551
2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetonitrile
CID 27280952

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-3-(methylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one (CID 79195456) is 2-methyl-3-(methylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-3-(methylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-3-(methylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one is CNCC(C)C(=O)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 2-methyl-3-(methylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is YGNBGSCXJUOVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-11(10-15-2)13(18)16-5-7-17(8-6-16)14(19)12-4-3-9-20-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 2-methyl-3-(methylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one?
2-methyl-3-(methylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 283.37 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 79195456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).