2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(3-methoxypropyl)propanamide

C13H26N2O3 — CID 115873942

IUPAC2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N1CCCC(C)(O)C1
InChIInChI=1S/C13H26N2O3/c1-11(12(16)14-7-5-9-18-3)15-8-4-6-13(2,17)10-15/h11,17H,4-10H2,1-3H3,(H,14,16)
InChIKeyDOIQFKYQGRCNIA-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.37
Rot. Bonds6

About 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(3-methoxypropyl)propanamide

2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(3-methoxypropyl)propanamide (PubChem CID 115873942) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(3-methoxypropyl)propanamide
PubChem CID115873942
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N1CCCC(C)(O)C1
InChIInChI=1S/C13H26N2O3/c1-11(12(16)14-7-5-9-18-3)15-8-4-6-13(2,17)10-15/h11,17H,4-10H2,1-3H3,(H,14,16)
InChIKeyDOIQFKYQGRCNIA-UHFFFAOYSA-N
XLogP0.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 107160661
N-butyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103728829
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-pentylpropanamide
CID 103728903
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-pentan-3-ylpropanamide
CID 115874021
1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709098
N-carbamoyl-2-(3-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 115874185
N-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide
CID 120704343
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride
CID 119877454
1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978854
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 63847171
1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984303
N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
CID 103724771

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(3-methoxypropyl)propanamide (CID 115873942) is 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)N1CCCC(C)(O)C1.
What is the InChIKey of 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(3-methoxypropyl)propanamide?
The InChIKey is DOIQFKYQGRCNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-11(12(16)14-7-5-9-18-3)15-8-4-6-13(2,17)10-15/h11,17H,4-10H2,1-3H3,(H,14,16).
What are the key properties of 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(3-methoxypropyl)propanamide?
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(3-methoxypropyl)propanamide has a molecular weight of 258.36 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 115873942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).