N-[[4-[(2E,4Z)-hepta-2,4-dien-3-yl]piperidin-4-yl]methyl]-N-methylacetamide

C16H28N2O — CID 163685927

IUPACN-[[4-[(2E,4Z)-hepta-2,4-dien-3-yl]piperidin-4-yl]methyl]-N-methylacetamide
SMILESC/C=C(\C=C/CC)C1(CN(C)C(C)=O)CCNCC1
InChIInChI=1S/C16H28N2O/c1-5-7-8-15(6-2)16(9-11-17-12-10-16)13-18(4)14(3)19/h6-8,17H,5,9-13H2,1-4H3/b8-7-,15-6+
InChIKeyJOWKEZQARAEJRP-SPJJUJCTSA-N
MW264.41 g/mol
LogP2.75
Rot. Bonds5

About N-[[4-[(2E,4Z)-hepta-2,4-dien-3-yl]piperidin-4-yl]methyl]-N-methylacetamide

N-[[4-[(2E,4Z)-hepta-2,4-dien-3-yl]piperidin-4-yl]methyl]-N-methylacetamide (PubChem CID 163685927) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[4-[(2E,4Z)-hepta-2,4-dien-3-yl]piperidin-4-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[4-[(2E,4Z)-hepta-2,4-dien-3-yl]piperidin-4-yl]methyl]-N-methylacetamide
PubChem CID163685927
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[4-[(2E,4Z)-hepta-2,4-dien-3-yl]piperidin-4-yl]methyl]-N-methylacetamide
SMILESC/C=C(\C=C/CC)C1(CN(C)C(C)=O)CCNCC1
InChIInChI=1S/C16H28N2O/c1-5-7-8-15(6-2)16(9-11-17-12-10-16)13-18(4)14(3)19/h6-8,17H,5,9-13H2,1-4H3/b8-7-,15-6+
InChIKeyJOWKEZQARAEJRP-SPJJUJCTSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.75
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 N-[[4-[(2E,4Z)-hepta-2,4-dien-3-yl]piperidin-4-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[4-[(2E,4Z)-hepta-2,4-dien-3-yl]piperidin-4-yl]methyl]-N-methylacetamide (CID 163685927) is N-[[4-[(2E,4Z)-hepta-2,4-dien-3-yl]piperidin-4-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[4-[(2E,4Z)-hepta-2,4-dien-3-yl]piperidin-4-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[4-[(2E,4Z)-hepta-2,4-dien-3-yl]piperidin-4-yl]methyl]-N-methylacetamide is C/C=C(\C=C/CC)C1(CN(C)C(C)=O)CCNCC1.
What is the InChIKey of N-[[4-[(2E,4Z)-hepta-2,4-dien-3-yl]piperidin-4-yl]methyl]-N-methylacetamide?
The InChIKey is JOWKEZQARAEJRP-SPJJUJCTSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-7-8-15(6-2)16(9-11-17-12-10-16)13-18(4)14(3)19/h6-8,17H,5,9-13H2,1-4H3/b8-7-,15-6+.
What are the key properties of N-[[4-[(2E,4Z)-hepta-2,4-dien-3-yl]piperidin-4-yl]methyl]-N-methylacetamide?
N-[[4-[(2E,4Z)-hepta-2,4-dien-3-yl]piperidin-4-yl]methyl]-N-methylacetamide has a molecular weight of 264.41 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2E,4Z)-hepta-2,4-dien-3-yl]piperidin-4-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 163685927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).