N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylmethoxypropanamide

C17H25N3O3 — CID 46449463

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C17H25N3O3/c1-13(23-12-14-5-3-2-4-6-14)17(22)19-15-7-9-20(10-8-15)11-16(18)21/h2-6,13,15H,7-12H2,1H3,(H2,18,21)(H,19,22)
InChIKeyJGMMZCSLMHJXDH-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.66
Rot. Bonds7

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylmethoxypropanamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylmethoxypropanamide (PubChem CID 46449463) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylmethoxypropanamide
PubChem CID46449463
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)NC1CCN(CC(N)=O)CC1
InChIInChI=1S/C17H25N3O3/c1-13(23-12-14-5-3-2-4-6-14)17(22)19-15-7-9-20(10-8-15)11-16(18)21/h2-6,13,15H,7-12H2,1H3,(H2,18,21)(H,19,22)
InChIKeyJGMMZCSLMHJXDH-UHFFFAOYSA-N
XLogP0.66
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylmethoxypropanamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylmethoxypropanamide (CID 46449463) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylmethoxypropanamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylmethoxypropanamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylmethoxypropanamide is CC(OCc1ccccc1)C(=O)NC1CCN(CC(N)=O)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylmethoxypropanamide?
The InChIKey is JGMMZCSLMHJXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13(23-12-14-5-3-2-4-6-14)17(22)19-15-7-9-20(10-8-15)11-16(18)21/h2-6,13,15H,7-12H2,1H3,(H2,18,21)(H,19,22).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylmethoxypropanamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylmethoxypropanamide has a molecular weight of 319.40 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-phenylmethoxypropanamide is sourced from PubChem (CID 46449463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).