2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one

C13H26N2O3 — CID 114220995

IUPAC2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one
SMILESCOCCCC(N)C(=O)N1CCC(OC)CC1C
InChIInChI=1S/C13H26N2O3/c1-10-9-11(18-3)6-7-15(10)13(16)12(14)5-4-8-17-2/h10-12H,4-9,14H2,1-3H3
InChIKeyYRFNDDZJWQSPKN-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.77
Rot. Bonds6

About 2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one

2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one (PubChem CID 114220995) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one
PubChem CID114220995
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one
SMILESCOCCCC(N)C(=O)N1CCC(OC)CC1C
InChIInChI=1S/C13H26N2O3/c1-10-9-11(18-3)6-7-15(10)13(16)12(14)5-4-8-17-2/h10-12H,4-9,14H2,1-3H3
InChIKeyYRFNDDZJWQSPKN-UHFFFAOYSA-N
XLogP0.77
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-methoxypentanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107068899
2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one
CID 112734411
2-amino-4-methoxy-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 62472696
2-amino-1-(2,6-dimethylpiperidin-1-yl)-5-methoxypentan-1-one
CID 81081732
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
3-[1-(2-amino-5-methoxypentanoyl)piperidin-2-yl]propanoic acid
CID 81088985
2-amino-5-methoxy-1-(4-methylazepan-1-yl)pentan-1-one
CID 81089424
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
CID 81088440
1-(2-amino-5-methoxypentanoyl)-N-methylpyrrolidine-2-carboxamide
CID 81089238
(2R)-2-amino-1-(2,4-dimethylpiperidin-1-yl)pentan-1-one
CID 103796187
3-(ethylamino)-1-(4-methoxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 114220970

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one?
The IUPAC name of 2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one (CID 114220995) is 2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one.
What is the SMILES notation for 2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one?
The canonical SMILES for 2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one is COCCCC(N)C(=O)N1CCC(OC)CC1C.
What is the InChIKey of 2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one?
The InChIKey is YRFNDDZJWQSPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10-9-11(18-3)6-7-15(10)13(16)12(14)5-4-8-17-2/h10-12H,4-9,14H2,1-3H3.
What are the key properties of 2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one?
2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one has a molecular weight of 258.36 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 114220995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).