[1-[2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl] acetate

C17H29N3O5 — CID 67651731

IUPAC[1-[2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl] acetate
SMILESCC(=O)OC1CCN(C(=O)C(C)NC(=O)COC2CCNCC2)CC1
InChIInChI=1S/C17H29N3O5/c1-12(19-16(22)11-24-14-3-7-18-8-4-14)17(23)20-9-5-15(6-10-20)25-13(2)21/h12,14-15,18H,3-11H2,1-2H3,(H,19,22)
InChIKeyYTZJZPGYINAQFG-UHFFFAOYSA-N
MW355.44 g/mol
LogP-0.19
Rot. Bonds6

About [1-[2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl] acetate

[1-[2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl] acetate (PubChem CID 67651731) has the molecular formula C17H29N3O5 and a molecular weight of 355.44 g/mol. Its IUPAC name is [1-[2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl] acetate.

Molecular Properties

Compound Name[1-[2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl] acetate
PubChem CID67651731
Molecular FormulaC17H29N3O5
Molecular Weight355.44 g/mol
Exact Mass355.21
IUPAC Name[1-[2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl] acetate
SMILESCC(=O)OC1CCN(C(=O)C(C)NC(=O)COC2CCNCC2)CC1
InChIInChI=1S/C17H29N3O5/c1-12(19-16(22)11-24-14-3-7-18-8-4-14)17(23)20-9-5-15(6-10-20)25-13(2)21/h12,14-15,18H,3-11H2,1-2H3,(H,19,22)
InChIKeyYTZJZPGYINAQFG-UHFFFAOYSA-N
XLogP-0.19
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl] acetate?
The IUPAC name of [1-[2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl] acetate (CID 67651731) is [1-[2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl] acetate.
What is the SMILES notation for [1-[2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl] acetate?
The canonical SMILES for [1-[2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl] acetate is CC(=O)OC1CCN(C(=O)C(C)NC(=O)COC2CCNCC2)CC1.
What is the InChIKey of [1-[2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl] acetate?
The InChIKey is YTZJZPGYINAQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O5/c1-12(19-16(22)11-24-14-3-7-18-8-4-14)17(23)20-9-5-15(6-10-20)25-13(2)21/h12,14-15,18H,3-11H2,1-2H3,(H,19,22).
What are the key properties of [1-[2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl] acetate?
[1-[2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl] acetate has a molecular weight of 355.44 g/mol, XLogP of -0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl] acetate is sourced from PubChem (CID 67651731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).