2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one

C14H28N2O2 — CID 112734411

IUPAC2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one
SMILESCCC1CCC(C)N(C(=O)C(N)CCCOC)C1
InChIInChI=1S/C14H28N2O2/c1-4-12-8-7-11(2)16(10-12)14(17)13(15)6-5-9-18-3/h11-13H,4-10,15H2,1-3H3
InChIKeyNZTRFIYMGGTJQB-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.78
Rot. Bonds6

About 2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one

2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one (PubChem CID 112734411) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one
PubChem CID112734411
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one
SMILESCCC1CCC(C)N(C(=O)C(N)CCCOC)C1
InChIInChI=1S/C14H28N2O2/c1-4-12-8-7-11(2)16(10-12)14(17)13(15)6-5-9-18-3/h11-13H,4-10,15H2,1-3H3
InChIKeyNZTRFIYMGGTJQB-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(2,6-dimethylpiperidin-1-yl)-5-methoxypentan-1-one
CID 81081732
2-amino-4-methoxy-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 62472696
1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide
CID 62474841
2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one
CID 114220995
1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107068899
2-amino-5-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)pentan-1-one
CID 114593016
2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-5-methoxypentan-1-one
CID 81089538
2-cyclopropylethyl 2-amino-5-methoxypentanoate
CID 106202545
2-amino-5-methoxy-1-(4-methylazepan-1-yl)pentan-1-one
CID 81089424
2-amino-N-(4-ethylcyclohexyl)-5-methoxy-N-methylpentanamide
CID 81088714
1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 81089238
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
CID 81088440

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one?
The IUPAC name of 2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one (CID 112734411) is 2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one.
What is the SMILES notation for 2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one?
The canonical SMILES for 2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one is CCC1CCC(C)N(C(=O)C(N)CCCOC)C1.
What is the InChIKey of 2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one?
The InChIKey is NZTRFIYMGGTJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-12-8-7-11(2)16(10-12)14(17)13(15)6-5-9-18-3/h11-13H,4-10,15H2,1-3H3.
What are the key properties of 2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one?
2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one has a molecular weight of 256.39 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one is sourced from PubChem (CID 112734411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).