3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]oxolan-2-one

C13H24N2O2 — CID 63241436

IUPAC3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]oxolan-2-one
SMILESCC(C)NCC1CCCN(C2CCOC2=O)C1
InChIInChI=1S/C13H24N2O2/c1-10(2)14-8-11-4-3-6-15(9-11)12-5-7-17-13(12)16/h10-12,14H,3-9H2,1-2H3
InChIKeyDCFGAGZYGWVRGA-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds4

About 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]oxolan-2-one

3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]oxolan-2-one (PubChem CID 63241436) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]oxolan-2-one
PubChem CID63241436
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]oxolan-2-one
SMILESCC(C)NCC1CCCN(C2CCOC2=O)C1
InChIInChI=1S/C13H24N2O2/c1-10(2)14-8-11-4-3-6-15(9-11)12-5-7-17-13(12)16/h10-12,14H,3-9H2,1-2H3
InChIKeyDCFGAGZYGWVRGA-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]oxolan-2-one?
The IUPAC name of 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]oxolan-2-one (CID 63241436) is 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]oxolan-2-one?
The canonical SMILES for 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]oxolan-2-one is CC(C)NCC1CCCN(C2CCOC2=O)C1.
What is the InChIKey of 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]oxolan-2-one?
The InChIKey is DCFGAGZYGWVRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)14-8-11-4-3-6-15(9-11)12-5-7-17-13(12)16/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]oxolan-2-one?
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]oxolan-2-one has a molecular weight of 240.35 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]oxolan-2-one is sourced from PubChem (CID 63241436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).