N-[3-(3-methylpiperidin-1-yl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C21H34N2O2 — CID 133160653

IUPACN-[3-(3-methylpiperidin-1-yl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NCCCN2CCCC(C)C2)c1
InChIInChI=1S/C21H34N2O2/c1-16(2)19-9-8-17(3)13-20(19)25-15-21(24)22-10-6-12-23-11-5-7-18(4)14-23/h8-9,13,16,18H,5-7,10-12,14-15H2,1-4H3,(H,22,24)
InChIKeyZKRNJNBMNLYDPR-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.74
Rot. Bonds8

About N-[3-(3-methylpiperidin-1-yl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[3-(3-methylpiperidin-1-yl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 133160653) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[3-(3-methylpiperidin-1-yl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(3-methylpiperidin-1-yl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID133160653
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC NameN-[3-(3-methylpiperidin-1-yl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NCCCN2CCCC(C)C2)c1
InChIInChI=1S/C21H34N2O2/c1-16(2)19-9-8-17(3)13-20(19)25-15-21(24)22-10-6-12-23-11-5-7-18(4)14-23/h8-9,13,16,18H,5-7,10-12,14-15H2,1-4H3,(H,22,24)
InChIKeyZKRNJNBMNLYDPR-UHFFFAOYSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.74
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

(3R)-3-methyl-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidine
CID 2297150
N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 78759998
2-(2,4-dichlorophenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
CID 54774623
3-methyl-N-[1-[3-(3-methylpiperidin-1-yl)propylamino]-1-oxopropan-2-yl]benzamide
CID 86990789
N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112
3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide
CID 86961985
N-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 100532072
3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
CID 133199627
3-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-2-[(2-phenoxyacetyl)amino]butanamide
CID 86990783
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119511055
2-(4-chloro-3-methylphenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
CID 55715629

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 133160653) is N-[3-(3-methylpiperidin-1-yl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[3-(3-methylpiperidin-1-yl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[3-(3-methylpiperidin-1-yl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)NCCCN2CCCC(C)C2)c1.
What is the InChIKey of N-[3-(3-methylpiperidin-1-yl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is ZKRNJNBMNLYDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-16(2)19-9-8-17(3)13-20(19)25-15-21(24)22-10-6-12-23-11-5-7-18(4)14-23/h8-9,13,16,18H,5-7,10-12,14-15H2,1-4H3,(H,22,24).
What are the key properties of N-[3-(3-methylpiperidin-1-yl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-[3-(3-methylpiperidin-1-yl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 346.52 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpiperidin-1-yl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 133160653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).