1-[4-(hex-5-en-2-ylamino)piperidin-1-yl]-2-methoxyethanone

C14H26N2O2 — CID 113429346

IUPAC1-[4-(hex-5-en-2-ylamino)piperidin-1-yl]-2-methoxyethanone
SMILESC=CCCC(C)NC1CCN(C(=O)COC)CC1
InChIInChI=1S/C14H26N2O2/c1-4-5-6-12(2)15-13-7-9-16(10-8-13)14(17)11-18-3/h4,12-13,15H,1,5-11H2,2-3H3
InChIKeyWAYSMYIEEZQXCJ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.57
Rot. Bonds7

About 1-[4-(hex-5-en-2-ylamino)piperidin-1-yl]-2-methoxyethanone

1-[4-(hex-5-en-2-ylamino)piperidin-1-yl]-2-methoxyethanone (PubChem CID 113429346) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[4-(hex-5-en-2-ylamino)piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(hex-5-en-2-ylamino)piperidin-1-yl]-2-methoxyethanone
PubChem CID113429346
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[4-(hex-5-en-2-ylamino)piperidin-1-yl]-2-methoxyethanone
SMILESC=CCCC(C)NC1CCN(C(=O)COC)CC1
InChIInChI=1S/C14H26N2O2/c1-4-5-6-12(2)15-13-7-9-16(10-8-13)14(17)11-18-3/h4,12-13,15H,1,5-11H2,2-3H3
InChIKeyWAYSMYIEEZQXCJ-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-({1-[(2E)-but-2-en-1-yl]-1,2,5,6-tetrahydropyridin-3-yl}methyl)piperidin-4-yl]-2-methoxyacetamide
CID 56712773
N-(1-{1-[(2E)-but-2-en-1-yl]-1,2,3,6-tetrahydropyridin-4-yl}propyl)-2-methoxyacetamide
CID 56713676
2-Methoxy-N-[1-(2-methoxyethyl)piperidin-4-YL]acetamide
CID 71784693
2-Methoxy-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 20607203
2-methoxy-N-methyl-N-piperidin-4-ylacetamide
CID 23391794
2-methoxy-N-(1-methylpiperidin-4-yl)acetamide
CID 23557881
N-(1-ethylpiperidin-4-yl)-2-methoxyacetamide
CID 57814404
N-(1-acetylpiperidin-4-yl)-2-methoxyacetamide
CID 60664802
2-methoxy-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 60664813
N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 60775733
2-hex-4-en-3-yloxy-N-piperidin-4-ylacetamide
CID 123983113
4-(4-Aminocyclohex-2-en-1-yl)morpholin-3-one
CID 129065303

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hex-5-en-2-ylamino)piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(hex-5-en-2-ylamino)piperidin-1-yl]-2-methoxyethanone (CID 113429346) is 1-[4-(hex-5-en-2-ylamino)piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(hex-5-en-2-ylamino)piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(hex-5-en-2-ylamino)piperidin-1-yl]-2-methoxyethanone is C=CCCC(C)NC1CCN(C(=O)COC)CC1.
What is the InChIKey of 1-[4-(hex-5-en-2-ylamino)piperidin-1-yl]-2-methoxyethanone?
The InChIKey is WAYSMYIEEZQXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-5-6-12(2)15-13-7-9-16(10-8-13)14(17)11-18-3/h4,12-13,15H,1,5-11H2,2-3H3.
What are the key properties of 1-[4-(hex-5-en-2-ylamino)piperidin-1-yl]-2-methoxyethanone?
1-[4-(hex-5-en-2-ylamino)piperidin-1-yl]-2-methoxyethanone has a molecular weight of 254.37 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hex-5-en-2-ylamino)piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 113429346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).