2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide

C15H31N3O2 — CID 115305282

IUPAC2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCNC1(C)CCN(CC(=O)NCCCOC(C)C)CC1
InChIInChI=1S/C15H31N3O2/c1-13(2)20-11-5-8-17-14(19)12-18-9-6-15(3,16-4)7-10-18/h13,16H,5-12H2,1-4H3,(H,17,19)
InChIKeyPVPFJQZDPTUHKR-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.99
Rot. Bonds8

About 2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide

2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 115305282) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID115305282
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCNC1(C)CCN(CC(=O)NCCCOC(C)C)CC1
InChIInChI=1S/C15H31N3O2/c1-13(2)20-11-5-8-17-14(19)12-18-9-6-15(3,16-4)7-10-18/h13,16H,5-12H2,1-4H3,(H,17,19)
InChIKeyPVPFJQZDPTUHKR-UHFFFAOYSA-N
XLogP0.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.99
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

N-(3-methoxypropyl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115304935
2-(3-aminopyrrolidin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 55030129
2-[3-methyl-4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 56550582
1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63032025
N-butan-2-yl-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 113283097
2-(2,2-dimethylpiperazin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 65461594
2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 113450216
2-[4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]morpholin-2-yl]acetic acid
CID 66433883
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 115305099
2-[(3-methylpyrrolidin-3-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 107424328
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8997912
N-[4-(methylamino)butyl]-4-propan-2-yloxybutanamide
CID 162749933

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide (CID 115305282) is 2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide is CNC1(C)CCN(CC(=O)NCCCOC(C)C)CC1.
What is the InChIKey of 2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is PVPFJQZDPTUHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-13(2)20-11-5-8-17-14(19)12-18-9-6-15(3,16-4)7-10-18/h13,16H,5-12H2,1-4H3,(H,17,19).
What are the key properties of 2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide?
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 285.43 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 115305282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).