4-(oxan-2-ylmethoxy)-N-pentan-3-ylpiperidine-1-carboxamide

C17H32N2O3 — CID 126791528

IUPAC4-(oxan-2-ylmethoxy)-N-pentan-3-ylpiperidine-1-carboxamide
SMILESCCC(CC)NC(=O)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C17H32N2O3/c1-3-14(4-2)18-17(20)19-10-8-15(9-11-19)22-13-16-7-5-6-12-21-16/h14-16H,3-13H2,1-2H3,(H,18,20)
InChIKeyABYKOULJQNOOPL-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.93
Rot. Bonds6

About 4-(oxan-2-ylmethoxy)-N-pentan-3-ylpiperidine-1-carboxamide

4-(oxan-2-ylmethoxy)-N-pentan-3-ylpiperidine-1-carboxamide (PubChem CID 126791528) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is 4-(oxan-2-ylmethoxy)-N-pentan-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(oxan-2-ylmethoxy)-N-pentan-3-ylpiperidine-1-carboxamide
PubChem CID126791528
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Name4-(oxan-2-ylmethoxy)-N-pentan-3-ylpiperidine-1-carboxamide
SMILESCCC(CC)NC(=O)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C17H32N2O3/c1-3-14(4-2)18-17(20)19-10-8-15(9-11-19)22-13-16-7-5-6-12-21-16/h14-16H,3-13H2,1-2H3,(H,18,20)
InChIKeyABYKOULJQNOOPL-UHFFFAOYSA-N
XLogP2.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-ylmethoxy)-N-pentan-3-ylpiperidine-1-carboxamide?
The IUPAC name of 4-(oxan-2-ylmethoxy)-N-pentan-3-ylpiperidine-1-carboxamide (CID 126791528) is 4-(oxan-2-ylmethoxy)-N-pentan-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(oxan-2-ylmethoxy)-N-pentan-3-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-(oxan-2-ylmethoxy)-N-pentan-3-ylpiperidine-1-carboxamide is CCC(CC)NC(=O)N1CCC(OCC2CCCCO2)CC1.
What is the InChIKey of 4-(oxan-2-ylmethoxy)-N-pentan-3-ylpiperidine-1-carboxamide?
The InChIKey is ABYKOULJQNOOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-3-14(4-2)18-17(20)19-10-8-15(9-11-19)22-13-16-7-5-6-12-21-16/h14-16H,3-13H2,1-2H3,(H,18,20).
What are the key properties of 4-(oxan-2-ylmethoxy)-N-pentan-3-ylpiperidine-1-carboxamide?
4-(oxan-2-ylmethoxy)-N-pentan-3-ylpiperidine-1-carboxamide has a molecular weight of 312.45 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-ylmethoxy)-N-pentan-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 126791528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).