cyclopropyl-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]methanone

C15H24N2O2 — CID 55030356

IUPACcyclopropyl-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C15H24N2O2/c18-15(12-4-5-12)17-8-6-13(7-9-17)16-11-14-3-1-2-10-19-14/h2,10,12-14,16H,1,3-9,11H2
InChIKeyGGUHLGQPOCYSQG-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.67
Rot. Bonds4

About cyclopropyl-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]methanone

cyclopropyl-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]methanone (PubChem CID 55030356) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is cyclopropyl-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]methanone
PubChem CID55030356
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namecyclopropyl-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C15H24N2O2/c18-15(12-4-5-12)17-8-6-13(7-9-17)16-11-14-3-1-2-10-19-14/h2,10,12-14,16H,1,3-9,11H2
InChIKeyGGUHLGQPOCYSQG-UHFFFAOYSA-N
XLogP1.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]methanone (CID 55030356) is cyclopropyl-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(NCC2CCC=CO2)CC1.
What is the InChIKey of cyclopropyl-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]methanone?
The InChIKey is GGUHLGQPOCYSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c18-15(12-4-5-12)17-8-6-13(7-9-17)16-11-14-3-1-2-10-19-14/h2,10,12-14,16H,1,3-9,11H2.
What are the key properties of cyclopropyl-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]methanone?
cyclopropyl-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]methanone has a molecular weight of 264.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 55030356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).