2-(4-methylphenoxy)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide

C19H30N2O2 — CID 110291709

IUPAC2-(4-methylphenoxy)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
SMILESCc1ccc(OCC(=O)NCC2CCN(CC(C)C)CC2)cc1
InChIInChI=1S/C19H30N2O2/c1-15(2)13-21-10-8-17(9-11-21)12-20-19(22)14-23-18-6-4-16(3)5-7-18/h4-7,15,17H,8-14H2,1-3H3,(H,20,22)
InChIKeyAAMFESPSEONPGD-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.86
Rot. Bonds7

About 2-(4-methylphenoxy)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide

2-(4-methylphenoxy)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide (PubChem CID 110291709) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
PubChem CID110291709
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-(4-methylphenoxy)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
SMILESCc1ccc(OCC(=O)NCC2CCN(CC(C)C)CC2)cc1
InChIInChI=1S/C19H30N2O2/c1-15(2)13-21-10-8-17(9-11-21)12-20-19(22)14-23-18-6-4-16(3)5-7-18/h4-7,15,17H,8-14H2,1-3H3,(H,20,22)
InChIKeyAAMFESPSEONPGD-UHFFFAOYSA-N
XLogP2.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110736170
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 16895737
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655
N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 24667225
N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide
CID 95314131
N-[(1-formylazetidin-3-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 142513714
2-phenoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide
CID 16895414
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 121109431
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide
CID 111429566
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
2-(4-cyanophenoxy)-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 94799999
2-[4-(4-methylphenoxy)phenoxy]-N-(2-methylpropyl)acetamide
CID 23732384

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide (CID 110291709) is 2-(4-methylphenoxy)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide is Cc1ccc(OCC(=O)NCC2CCN(CC(C)C)CC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is AAMFESPSEONPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15(2)13-21-10-8-17(9-11-21)12-20-19(22)14-23-18-6-4-16(3)5-7-18/h4-7,15,17H,8-14H2,1-3H3,(H,20,22).
What are the key properties of 2-(4-methylphenoxy)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide?
2-(4-methylphenoxy)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 318.46 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 110291709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).