1-[4-[methyl-[(3S)-oxolan-3-yl]amino]piperidin-1-yl]propan-1-one

C13H24N2O2 — CID 129177924

IUPAC1-[4-[methyl-[(3S)-oxolan-3-yl]amino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(N(C)[C@H]2CCOC2)CC1
InChIInChI=1S/C13H24N2O2/c1-3-13(16)15-7-4-11(5-8-15)14(2)12-6-9-17-10-12/h11-12H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyRBGLXMMDGBAIRG-LBPRGKRZSA-N
MW240.35 g/mol
LogP1.11
Rot. Bonds3

About 1-[4-[methyl-[(3S)-oxolan-3-yl]amino]piperidin-1-yl]propan-1-one

1-[4-[methyl-[(3S)-oxolan-3-yl]amino]piperidin-1-yl]propan-1-one (PubChem CID 129177924) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[4-[methyl-[(3S)-oxolan-3-yl]amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[methyl-[(3S)-oxolan-3-yl]amino]piperidin-1-yl]propan-1-one
PubChem CID129177924
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[4-[methyl-[(3S)-oxolan-3-yl]amino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(N(C)[C@H]2CCOC2)CC1
InChIInChI=1S/C13H24N2O2/c1-3-13(16)15-7-4-11(5-8-15)14(2)12-6-9-17-10-12/h11-12H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyRBGLXMMDGBAIRG-LBPRGKRZSA-N
XLogP1.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[methyl-[(3S)-oxolan-3-yl]amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[methyl-[(3S)-oxolan-3-yl]amino]piperidin-1-yl]propan-1-one (CID 129177924) is 1-[4-[methyl-[(3S)-oxolan-3-yl]amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[methyl-[(3S)-oxolan-3-yl]amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[methyl-[(3S)-oxolan-3-yl]amino]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(N(C)[C@H]2CCOC2)CC1.
What is the InChIKey of 1-[4-[methyl-[(3S)-oxolan-3-yl]amino]piperidin-1-yl]propan-1-one?
The InChIKey is RBGLXMMDGBAIRG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-13(16)15-7-4-11(5-8-15)14(2)12-6-9-17-10-12/h11-12H,3-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[4-[methyl-[(3S)-oxolan-3-yl]amino]piperidin-1-yl]propan-1-one?
1-[4-[methyl-[(3S)-oxolan-3-yl]amino]piperidin-1-yl]propan-1-one has a molecular weight of 240.35 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[methyl-[(3S)-oxolan-3-yl]amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 129177924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).