1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone

C13H26N2O — CID 109005936

IUPAC1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone
SMILESCCCCCNCC(=O)N1CCCC(C)C1
InChIInChI=1S/C13H26N2O/c1-3-4-5-8-14-10-13(16)15-9-6-7-12(2)11-15/h12,14H,3-11H2,1-2H3
InChIKeyLQZLORFXHHCTGV-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds6

About 1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone

1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone (PubChem CID 109005936) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone
PubChem CID109005936
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone
SMILESCCCCCNCC(=O)N1CCCC(C)C1
InChIInChI=1S/C13H26N2O/c1-3-4-5-8-14-10-13(16)15-9-6-7-12(2)11-15/h12,14H,3-11H2,1-2H3
InChIKeyLQZLORFXHHCTGV-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
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

1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone
CID 107222864
1-hexyl-2-methyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]guanidine
CID 111162197
2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 93300981
N-hexan-2-yl-3-methylpiperidine-1-carboxamide
CID 116655502
2-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 108993857
4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one
CID 60841501
2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109006116
tert-butyl N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane
CID 142306619
1-(2-ethylpiperidin-1-yl)-2-(pentylamino)ethanone
CID 109005935
N-(2,2-dimethylheptyl)-3-methylpiperidine-1-carboxamide
CID 116656850
1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone
CID 62943798
1-(3-methylpiperidin-1-yl)-2-propylsulfanylethanone
CID 87011135

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone (CID 109005936) is 1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone is CCCCCNCC(=O)N1CCCC(C)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone?
The InChIKey is LQZLORFXHHCTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-4-5-8-14-10-13(16)15-9-6-7-12(2)11-15/h12,14H,3-11H2,1-2H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone?
1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone has a molecular weight of 226.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone is sourced from PubChem (CID 109005936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).