N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetamide

C23H36N2O2 — CID 171576658

IUPACN-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetamide
SMILESCC(=O)N(CC1CCN(c2ccc(C)cc2)CC1)C1CC(OC(C)(C)C)C1
InChIInChI=1S/C23H36N2O2/c1-17-6-8-20(9-7-17)24-12-10-19(11-13-24)16-25(18(2)26)21-14-22(15-21)27-23(3,4)5/h6-9,19,21-22H,10-16H2,1-5H3
InChIKeyMGNCRWYBKAMHSD-UHFFFAOYSA-N
MW372.55 g/mol
LogP4.41
Rot. Bonds5

About N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetamide

N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetamide (PubChem CID 171576658) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetamide
PubChem CID171576658
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC NameN-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetamide
SMILESCC(=O)N(CC1CCN(c2ccc(C)cc2)CC1)C1CC(OC(C)(C)C)C1
InChIInChI=1S/C23H36N2O2/c1-17-6-8-20(9-7-17)24-12-10-19(11-13-24)16-25(18(2)26)21-14-22(15-21)27-23(3,4)5/h6-9,19,21-22H,10-16H2,1-5H3
InChIKeyMGNCRWYBKAMHSD-UHFFFAOYSA-N
XLogP4.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetamide?
The IUPAC name of N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetamide (CID 171576658) is N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetamide.
What is the SMILES notation for N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetamide?
The canonical SMILES for N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetamide is CC(=O)N(CC1CCN(c2ccc(C)cc2)CC1)C1CC(OC(C)(C)C)C1.
What is the InChIKey of N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetamide?
The InChIKey is MGNCRWYBKAMHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-17-6-8-20(9-7-17)24-12-10-19(11-13-24)16-25(18(2)26)21-14-22(15-21)27-23(3,4)5/h6-9,19,21-22H,10-16H2,1-5H3.
What are the key properties of N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetamide?
N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetamide has a molecular weight of 372.55 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylphenyl)piperidin-4-yl]methyl]-N-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]acetamide is sourced from PubChem (CID 171576658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).