potassium N-[[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-1-id-4-yl]methyl]-2-methoxyacetamide

C16H25KN2O2 — CID 143792254

IUPACpotassium N-[[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-1-id-4-yl]methyl]-2-methoxyacetamide
SMILESC=C/C=C\C(=C/C)C1(CNC(=O)COC)CC[N-]CC1.[K+]
InChIInChI=1S/C16H25N2O2.K/c1-4-6-7-14(5-2)16(8-10-17-11-9-16)13-18-15(19)12-20-3;/h4-7H,1,8-13H2,2-3H3,(H,18,19);/q-1;+1/b7-6-,14-5+;
InChIKeyLCGUKQNIGVQGTK-QVTMYGKOSA-N
MW316.49 g/mol
LogP-0.40
Rot. Bonds7

About potassium N-[[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-1-id-4-yl]methyl]-2-methoxyacetamide

potassium N-[[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-1-id-4-yl]methyl]-2-methoxyacetamide (PubChem CID 143792254) has the molecular formula C16H25KN2O2 and a molecular weight of 316.49 g/mol. Its IUPAC name is potassium N-[[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-1-id-4-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound Namepotassium N-[[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-1-id-4-yl]methyl]-2-methoxyacetamide
PubChem CID143792254
Molecular FormulaC16H25KN2O2
Molecular Weight316.49 g/mol
Exact Mass316.16
IUPAC Namepotassium N-[[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-1-id-4-yl]methyl]-2-methoxyacetamide
SMILESC=C/C=C\C(=C/C)C1(CNC(=O)COC)CC[N-]CC1.[K+]
InChIInChI=1S/C16H25N2O2.K/c1-4-6-7-14(5-2)16(8-10-17-11-9-16)13-18-15(19)12-20-3;/h4-7H,1,8-13H2,2-3H3,(H,18,19);/q-1;+1/b7-6-,14-5+;
InChIKeyLCGUKQNIGVQGTK-QVTMYGKOSA-N
XLogP-0.40
TPSA52.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium N-[[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-1-id-4-yl]methyl]-2-methoxyacetamide?
The IUPAC name of potassium N-[[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-1-id-4-yl]methyl]-2-methoxyacetamide (CID 143792254) is potassium N-[[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-1-id-4-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for potassium N-[[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-1-id-4-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for potassium N-[[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-1-id-4-yl]methyl]-2-methoxyacetamide is C=C/C=C\C(=C/C)C1(CNC(=O)COC)CC[N-]CC1.[K+].
What is the InChIKey of potassium N-[[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-1-id-4-yl]methyl]-2-methoxyacetamide?
The InChIKey is LCGUKQNIGVQGTK-QVTMYGKOSA-N. The full InChI is InChI=1S/C16H25N2O2.K/c1-4-6-7-14(5-2)16(8-10-17-11-9-16)13-18-15(19)12-20-3;/h4-7H,1,8-13H2,2-3H3,(H,18,19);/q-1;+1/b7-6-,14-5+;.
What are the key properties of potassium N-[[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-1-id-4-yl]methyl]-2-methoxyacetamide?
potassium N-[[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-1-id-4-yl]methyl]-2-methoxyacetamide has a molecular weight of 316.49 g/mol, XLogP of -0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-[[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperidin-1-id-4-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 143792254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).