1-[3-[[(E)-hex-2-enyl]amino]piperidin-1-yl]-2-pentoxyethanone

C18H34N2O2 — CID 167513188

IUPAC1-[3-[[(E)-hex-2-enyl]amino]piperidin-1-yl]-2-pentoxyethanone
SMILESCCC/C=C/CNC1CCCN(C(=O)COCCCCC)C1
InChIInChI=1S/C18H34N2O2/c1-3-5-7-8-12-19-17-11-10-13-20(15-17)18(21)16-22-14-9-6-4-2/h7-8,17,19H,3-6,9-16H2,1-2H3/b8-7+
InChIKeyRNRQMMOGAQRTIM-BQYQJAHWSA-N
MW310.48 g/mol
LogP3.13
Rot. Bonds11

About 1-[3-[[(E)-hex-2-enyl]amino]piperidin-1-yl]-2-pentoxyethanone

1-[3-[[(E)-hex-2-enyl]amino]piperidin-1-yl]-2-pentoxyethanone (PubChem CID 167513188) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-[3-[[(E)-hex-2-enyl]amino]piperidin-1-yl]-2-pentoxyethanone.

Molecular Properties

Compound Name1-[3-[[(E)-hex-2-enyl]amino]piperidin-1-yl]-2-pentoxyethanone
PubChem CID167513188
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name1-[3-[[(E)-hex-2-enyl]amino]piperidin-1-yl]-2-pentoxyethanone
SMILESCCC/C=C/CNC1CCCN(C(=O)COCCCCC)C1
InChIInChI=1S/C18H34N2O2/c1-3-5-7-8-12-19-17-11-10-13-20(15-17)18(21)16-22-14-9-6-4-2/h7-8,17,19H,3-6,9-16H2,1-2H3/b8-7+
InChIKeyRNRQMMOGAQRTIM-BQYQJAHWSA-N
XLogP3.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
2-methoxy-N-[(5Z,8Z,11Z,14Z)-16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide
CID 11539464
2-methoxy-N-[16-[methyl(pentyl)amino]hexadeca-5,8,11,14-tetraenyl]acetamide
CID 72999749
N-methyl-N'-[(Z)-13-[2-(oxan-4-ylamino)-2-oxoethoxy]tridec-5-enyl]oxamide
CID 126483512
4-(4-Aminocyclohex-2-en-1-yl)morpholin-3-one
CID 129065303
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]-2-morpholin-4-ylpropyl]docosa-4,7,10,13,16,19-hexaenamide
CID 140612572
2-butoxy-N-methyl-N-propylacetamide;N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N',N'-dimethylethane-1,2-diamine
CID 144147415
ethane;5-[(2Z,4Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]hexa-2,4-dienyl]morpholin-3-one
CID 145575374
2-(5,5-dimethylhexoxy)-1-[3-[[(E)-hex-2-enyl]amino]piperidin-1-yl]ethanone
CID 170275888
1-[3-[[(E)-6,6-dimethylhept-2-enyl]amino]piperidin-1-yl]-2-(5,5-dimethylhexoxy)ethanone
CID 172509028
N-(3-amino-2-morpholin-4-ylpropyl)icosa-5,8,11,14,17-pentaenamide
CID 173514341
N-(3-amino-2-morpholin-4-ylpropyl)docosa-4,7,10,13,16,19-hexaenamide
CID 173514345

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(E)-hex-2-enyl]amino]piperidin-1-yl]-2-pentoxyethanone?
The IUPAC name of 1-[3-[[(E)-hex-2-enyl]amino]piperidin-1-yl]-2-pentoxyethanone (CID 167513188) is 1-[3-[[(E)-hex-2-enyl]amino]piperidin-1-yl]-2-pentoxyethanone.
What is the SMILES notation for 1-[3-[[(E)-hex-2-enyl]amino]piperidin-1-yl]-2-pentoxyethanone?
The canonical SMILES for 1-[3-[[(E)-hex-2-enyl]amino]piperidin-1-yl]-2-pentoxyethanone is CCC/C=C/CNC1CCCN(C(=O)COCCCCC)C1.
What is the InChIKey of 1-[3-[[(E)-hex-2-enyl]amino]piperidin-1-yl]-2-pentoxyethanone?
The InChIKey is RNRQMMOGAQRTIM-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-3-5-7-8-12-19-17-11-10-13-20(15-17)18(21)16-22-14-9-6-4-2/h7-8,17,19H,3-6,9-16H2,1-2H3/b8-7+.
What are the key properties of 1-[3-[[(E)-hex-2-enyl]amino]piperidin-1-yl]-2-pentoxyethanone?
1-[3-[[(E)-hex-2-enyl]amino]piperidin-1-yl]-2-pentoxyethanone has a molecular weight of 310.48 g/mol, XLogP of 3.13, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(E)-hex-2-enyl]amino]piperidin-1-yl]-2-pentoxyethanone is sourced from PubChem (CID 167513188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).