2-[methyl(oxolan-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one

C13H25N3O2 — CID 61432130

IUPAC2-[methyl(oxolan-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)N(C)CC1CCCO1
InChIInChI=1S/C13H25N3O2/c1-11(13(17)16-7-5-14-6-8-16)15(2)10-12-4-3-9-18-12/h11-12,14H,3-10H2,1-2H3
InChIKeyOPJRGFRVFOJFCO-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.08
Rot. Bonds4

About 2-[methyl(oxolan-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one

2-[methyl(oxolan-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one (PubChem CID 61432130) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[methyl(oxolan-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[methyl(oxolan-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
PubChem CID61432130
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[methyl(oxolan-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)N(C)CC1CCCO1
InChIInChI=1S/C13H25N3O2/c1-11(13(17)16-7-5-14-6-8-16)15(2)10-12-4-3-9-18-12/h11-12,14H,3-10H2,1-2H3
InChIKeyOPJRGFRVFOJFCO-UHFFFAOYSA-N
XLogP-0.08
TPSA44.81 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 ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 79716618
2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43263438
2-[methyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43271283
N-ethyl-N-(oxolan-2-ylmethyl)-2-piperazin-1-ylpropanamide
CID 61435034
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 61441971
2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43423493
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 61018825
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid
CID 79407488
N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 23876988
2-[methyl(piperidin-2-ylmethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 106635350
N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 61243218
3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 63953500

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxolan-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-[methyl(oxolan-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one (CID 61432130) is 2-[methyl(oxolan-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-[methyl(oxolan-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-[methyl(oxolan-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one is CC(C(=O)N1CCNCC1)N(C)CC1CCCO1.
What is the InChIKey of 2-[methyl(oxolan-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one?
The InChIKey is OPJRGFRVFOJFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(13(17)16-7-5-14-6-8-16)15(2)10-12-4-3-9-18-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-[methyl(oxolan-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one?
2-[methyl(oxolan-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one has a molecular weight of 255.36 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxolan-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 61432130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).