1-(2-ethylpiperidin-1-yl)-2-(pentylamino)ethanone

C14H28N2O — CID 109005935

IUPAC1-(2-ethylpiperidin-1-yl)-2-(pentylamino)ethanone
SMILESCCCCCNCC(=O)N1CCCCC1CC
InChIInChI=1S/C14H28N2O/c1-3-5-7-10-15-12-14(17)16-11-8-6-9-13(16)4-2/h13,15H,3-12H2,1-2H3
InChIKeyLFOPVCNJGXVULQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.56
Rot. Bonds7

About 1-(2-ethylpiperidin-1-yl)-2-(pentylamino)ethanone

1-(2-ethylpiperidin-1-yl)-2-(pentylamino)ethanone (PubChem CID 109005935) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-(pentylamino)ethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-(pentylamino)ethanone
PubChem CID109005935
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-(pentylamino)ethanone
SMILESCCCCCNCC(=O)N1CCCCC1CC
InChIInChI=1S/C14H28N2O/c1-3-5-7-10-15-12-14(17)16-11-8-6-9-13(16)4-2/h13,15H,3-12H2,1-2H3
InChIKeyLFOPVCNJGXVULQ-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 60686637
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
N-butyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108941432
1-(2-ethylpyrrolidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 79286776
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 60843505
2-(dipropylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 86910548
2-(ethylamino)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634633
1-(2-propylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 83053784
3-(2-ethylpiperidin-1-yl)-3-oxopropanethioamide
CID 43266603
N-butyl-4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145110

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(pentylamino)ethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(pentylamino)ethanone (CID 109005935) is 1-(2-ethylpiperidin-1-yl)-2-(pentylamino)ethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-(pentylamino)ethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-(pentylamino)ethanone is CCCCCNCC(=O)N1CCCCC1CC.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-(pentylamino)ethanone?
The InChIKey is LFOPVCNJGXVULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-5-7-10-15-12-14(17)16-11-8-6-9-13(16)4-2/h13,15H,3-12H2,1-2H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-(pentylamino)ethanone?
1-(2-ethylpiperidin-1-yl)-2-(pentylamino)ethanone has a molecular weight of 240.39 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-(pentylamino)ethanone is sourced from PubChem (CID 109005935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).