(E)-N-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]-2-methylidenepent-3-enamide

C15H27N3O2 — CID 156883214

IUPAC(E)-N-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]-2-methylidenepent-3-enamide
SMILESC=C(/C=C/C)C(=O)NC1CCN(CCOCCN)CC1
InChIInChI=1S/C15H27N3O2/c1-3-4-13(2)15(19)17-14-5-8-18(9-6-14)10-12-20-11-7-16/h3-4,14H,2,5-12,16H2,1H3,(H,17,19)/b4-3+
InChIKeyDGJGBXUTKVEJNY-ONEGZZNKSA-N
MW281.40 g/mol
LogP0.67
Rot. Bonds8

About (E)-N-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]-2-methylidenepent-3-enamide

(E)-N-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]-2-methylidenepent-3-enamide (PubChem CID 156883214) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (E)-N-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]-2-methylidenepent-3-enamide.

Molecular Properties

Compound Name(E)-N-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]-2-methylidenepent-3-enamide
PubChem CID156883214
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(E)-N-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]-2-methylidenepent-3-enamide
SMILESC=C(/C=C/C)C(=O)NC1CCN(CCOCCN)CC1
InChIInChI=1S/C15H27N3O2/c1-3-4-13(2)15(19)17-14-5-8-18(9-6-14)10-12-20-11-7-16/h3-4,14H,2,5-12,16H2,1H3,(H,17,19)/b4-3+
InChIKeyDGJGBXUTKVEJNY-ONEGZZNKSA-N
XLogP0.67
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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(Z)-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)pent-2-enamide
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N-[4-(2,6-dimethylmorpholine-4-carbonyl)cyclohexa-2,4-dien-1-yl]-5-(methylamino)pentanamide
CID 70974395
(Z,2E)-2-ethylidene-N-(2-morpholin-4-ylethyl)pent-3-enamide
CID 88899306
(2Z,3E,5Z)-2-ethylidene-N-[(1-methylpiperidin-4-yl)methyl]-4-(morpholin-4-ylmethyl)hepta-3,5-dienamide
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Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]-2-methylidenepent-3-enamide?
The IUPAC name of (E)-N-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]-2-methylidenepent-3-enamide (CID 156883214) is (E)-N-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]-2-methylidenepent-3-enamide.
What is the SMILES notation for (E)-N-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]-2-methylidenepent-3-enamide?
The canonical SMILES for (E)-N-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]-2-methylidenepent-3-enamide is C=C(/C=C/C)C(=O)NC1CCN(CCOCCN)CC1.
What is the InChIKey of (E)-N-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]-2-methylidenepent-3-enamide?
The InChIKey is DGJGBXUTKVEJNY-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-3-4-13(2)15(19)17-14-5-8-18(9-6-14)10-12-20-11-7-16/h3-4,14H,2,5-12,16H2,1H3,(H,17,19)/b4-3+.
What are the key properties of (E)-N-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]-2-methylidenepent-3-enamide?
(E)-N-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]-2-methylidenepent-3-enamide has a molecular weight of 281.40 g/mol, XLogP of 0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]-2-methylidenepent-3-enamide is sourced from PubChem (CID 156883214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).