N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-N-methylacetamide

C16H27N3O2 — CID 119755021

IUPACN-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(C(=O)C2C3CCC(C3)C2N)CC1
InChIInChI=1S/C16H27N3O2/c1-10(20)18(2)13-5-7-19(8-6-13)16(21)14-11-3-4-12(9-11)15(14)17/h11-15H,3-9,17H2,1-2H3
InChIKeyGKKKERMOVGELRI-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.83
Rot. Bonds2

About N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-N-methylacetamide

N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-N-methylacetamide (PubChem CID 119755021) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-N-methylacetamide
PubChem CID119755021
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(C(=O)C2C3CCC(C3)C2N)CC1
InChIInChI=1S/C16H27N3O2/c1-10(20)18(2)13-5-7-19(8-6-13)16(21)14-11-3-4-12(9-11)15(14)17/h11-15H,3-9,17H2,1-2H3
InChIKeyGKKKERMOVGELRI-UHFFFAOYSA-N
XLogP0.83
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-N-methylacetamide (CID 119755021) is N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-N-methylacetamide is CC(=O)N(C)C1CCN(C(=O)C2C3CCC(C3)C2N)CC1.
What is the InChIKey of N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-N-methylacetamide?
The InChIKey is GKKKERMOVGELRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-10(20)18(2)13-5-7-19(8-6-13)16(21)14-11-3-4-12(9-11)15(14)17/h11-15H,3-9,17H2,1-2H3.
What are the key properties of N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-N-methylacetamide?
N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-N-methylacetamide has a molecular weight of 293.41 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 119755021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).