1-(2-methoxyacetyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

C15H27N3O3 — CID 50979433

IUPAC1-(2-methoxyacetyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C(=O)NCCN2CCCC2)C1
InChIInChI=1S/C15H27N3O3/c1-21-12-14(19)18-9-4-5-13(11-18)15(20)16-6-10-17-7-2-3-8-17/h13H,2-12H2,1H3,(H,16,20)
InChIKeyGMHNGLKTKULDLF-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.08
Rot. Bonds6

About 1-(2-methoxyacetyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

1-(2-methoxyacetyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (PubChem CID 50979433) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyacetyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
PubChem CID50979433
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-(2-methoxyacetyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C(=O)NCCN2CCCC2)C1
InChIInChI=1S/C15H27N3O3/c1-21-12-14(19)18-9-4-5-13(11-18)15(20)16-6-10-17-7-2-3-8-17/h13H,2-12H2,1H3,(H,16,20)
InChIKeyGMHNGLKTKULDLF-UHFFFAOYSA-N
XLogP0.08
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyacetyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (CID 50979433) is 1-(2-methoxyacetyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyacetyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyacetyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is COCC(=O)N1CCCC(C(=O)NCCN2CCCC2)C1.
What is the InChIKey of 1-(2-methoxyacetyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is GMHNGLKTKULDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-21-12-14(19)18-9-4-5-13(11-18)15(20)16-6-10-17-7-2-3-8-17/h13H,2-12H2,1H3,(H,16,20).
What are the key properties of 1-(2-methoxyacetyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
1-(2-methoxyacetyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 50979433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).