N'-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N-prop-2-enyloxamide

C16H27N3O3 — CID 121109636

IUPACN'-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C16H27N3O3/c1-2-7-17-15(20)16(21)18-12-13-3-8-19(9-4-13)14-5-10-22-11-6-14/h2,13-14H,1,3-12H2,(H,17,20)(H,18,21)
InChIKeyIFUQJRBTEMJQJQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.30
Rot. Bonds5

About N'-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N-prop-2-enyloxamide

N'-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N-prop-2-enyloxamide (PubChem CID 121109636) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N'-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N-prop-2-enyloxamide
PubChem CID121109636
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN'-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C16H27N3O3/c1-2-7-17-15(20)16(21)18-12-13-3-8-19(9-4-13)14-5-10-22-11-6-14/h2,13-14H,1,3-12H2,(H,17,20)(H,18,21)
InChIKeyIFUQJRBTEMJQJQ-UHFFFAOYSA-N
XLogP0.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N-prop-2-enyloxamide?
The IUPAC name of N'-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N-prop-2-enyloxamide (CID 121109636) is N'-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCC1CCN(C2CCOCC2)CC1.
What is the InChIKey of N'-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N-prop-2-enyloxamide?
The InChIKey is IFUQJRBTEMJQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-2-7-17-15(20)16(21)18-12-13-3-8-19(9-4-13)14-5-10-22-11-6-14/h2,13-14H,1,3-12H2,(H,17,20)(H,18,21).
What are the key properties of N'-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N-prop-2-enyloxamide?
N'-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N-prop-2-enyloxamide has a molecular weight of 309.41 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N-prop-2-enyloxamide is sourced from PubChem (CID 121109636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).