3-[4-(cyclopropylmethylamino)piperidin-1-yl]oxolan-2-one

C13H22N2O2 — CID 115307263

IUPAC3-[4-(cyclopropylmethylamino)piperidin-1-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCC(NCC2CC2)CC1
InChIInChI=1S/C13H22N2O2/c16-13-12(5-8-17-13)15-6-3-11(4-7-15)14-9-10-1-2-10/h10-12,14H,1-9H2
InChIKeyVCWAYPVHNFHTEB-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.77
Rot. Bonds4

About 3-[4-(cyclopropylmethylamino)piperidin-1-yl]oxolan-2-one

3-[4-(cyclopropylmethylamino)piperidin-1-yl]oxolan-2-one (PubChem CID 115307263) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethylamino)piperidin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[4-(cyclopropylmethylamino)piperidin-1-yl]oxolan-2-one
PubChem CID115307263
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-[4-(cyclopropylmethylamino)piperidin-1-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCC(NCC2CC2)CC1
InChIInChI=1S/C13H22N2O2/c16-13-12(5-8-17-13)15-6-3-11(4-7-15)14-9-10-1-2-10/h10-12,14H,1-9H2
InChIKeyVCWAYPVHNFHTEB-UHFFFAOYSA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethylamino)piperidin-1-yl]oxolan-2-one?
The IUPAC name of 3-[4-(cyclopropylmethylamino)piperidin-1-yl]oxolan-2-one (CID 115307263) is 3-[4-(cyclopropylmethylamino)piperidin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-[4-(cyclopropylmethylamino)piperidin-1-yl]oxolan-2-one?
The canonical SMILES for 3-[4-(cyclopropylmethylamino)piperidin-1-yl]oxolan-2-one is O=C1OCCC1N1CCC(NCC2CC2)CC1.
What is the InChIKey of 3-[4-(cyclopropylmethylamino)piperidin-1-yl]oxolan-2-one?
The InChIKey is VCWAYPVHNFHTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-13-12(5-8-17-13)15-6-3-11(4-7-15)14-9-10-1-2-10/h10-12,14H,1-9H2.
What are the key properties of 3-[4-(cyclopropylmethylamino)piperidin-1-yl]oxolan-2-one?
3-[4-(cyclopropylmethylamino)piperidin-1-yl]oxolan-2-one has a molecular weight of 238.33 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethylamino)piperidin-1-yl]oxolan-2-one is sourced from PubChem (CID 115307263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).