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

C13H23N3O2 — CID 62064229

IUPAC2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C13H23N3O2/c14-13(17)10-16-6-4-11(5-7-16)15-9-12-3-1-2-8-18-12/h2,8,11-12,15H,1,3-7,9-10H2,(H2,14,17)
InChIKeyJNOAGXDJPLJSOY-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.22
Rot. Bonds5

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

2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]acetamide (PubChem CID 62064229) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]acetamide
PubChem CID62064229
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NCC2CCC=CO2)CC1
InChIInChI=1S/C13H23N3O2/c14-13(17)10-16-6-4-11(5-7-16)15-9-12-3-1-2-8-18-12/h2,8,11-12,15H,1,3-7,9-10H2,(H2,14,17)
InChIKeyJNOAGXDJPLJSOY-UHFFFAOYSA-N
XLogP0.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.22
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]acetamide?
The IUPAC name of 2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]acetamide (CID 62064229) is 2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]acetamide is NC(=O)CN1CCC(NCC2CCC=CO2)CC1.
What is the InChIKey of 2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]acetamide?
The InChIKey is JNOAGXDJPLJSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c14-13(17)10-16-6-4-11(5-7-16)15-9-12-3-1-2-8-18-12/h2,8,11-12,15H,1,3-7,9-10H2,(H2,14,17).
What are the key properties of 2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]acetamide?
2-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]acetamide has a molecular weight of 253.35 g/mol, XLogP of 0.22, 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]acetamide is sourced from PubChem (CID 62064229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).