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

C14H25N3O2 — CID 62064559

IUPAC2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C14H25N3O2/c1-15-14(18)11-17-7-5-12(6-8-17)16-10-13-4-2-3-9-19-13/h3,9,12-13,16H,2,4-8,10-11H2,1H3,(H,15,18)
InChIKeyXGWKPAQBHYOPEZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.48
Rot. Bonds5

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

2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-N-methylacetamide (PubChem CID 62064559) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-N-methylacetamide
PubChem CID62064559
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C14H25N3O2/c1-15-14(18)11-17-7-5-12(6-8-17)16-10-13-4-2-3-9-19-13/h3,9,12-13,16H,2,4-8,10-11H2,1H3,(H,15,18)
InChIKeyXGWKPAQBHYOPEZ-UHFFFAOYSA-N
XLogP0.48
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-N-methylacetamide (CID 62064559) is 2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(NCC2CCC=CO2)CC1.
What is the InChIKey of 2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-N-methylacetamide?
The InChIKey is XGWKPAQBHYOPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-15-14(18)11-17-7-5-12(6-8-17)16-10-13-4-2-3-9-19-13/h3,9,12-13,16H,2,4-8,10-11H2,1H3,(H,15,18).
What are the key properties of 2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-N-methylacetamide?
2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-N-methylacetamide has a molecular weight of 267.37 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 62064559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).