N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propanoylphenoxy)acetamide

C24H30N2O3 — CID 55416112

IUPACN-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C24H30N2O3/c1-3-23(27)20-9-13-22(14-10-20)29-18-24(28)25(2)17-19-7-11-21(12-8-19)26-15-5-4-6-16-26/h7-14H,3-6,15-18H2,1-2H3
InChIKeySJZNRRLSOLDVTP-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.31
Rot. Bonds8

About N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propanoylphenoxy)acetamide

N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 55416112) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propanoylphenoxy)acetamide
PubChem CID55416112
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C24H30N2O3/c1-3-23(27)20-9-13-22(14-10-20)29-18-24(28)25(2)17-19-7-11-21(12-8-19)26-15-5-4-6-16-26/h7-14H,3-6,15-18H2,1-2H3
InChIKeySJZNRRLSOLDVTP-UHFFFAOYSA-N
XLogP4.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetylphenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 26036986
2-(4-iodophenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 55416309
N-ethyl-N-methyl-2-(4-propanoylphenoxy)acetamide
CID 43243911
3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231414
N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 18072731
N-methyl-2-(methylamino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 61254195
N-methyl-4-(oxolan-2-ylmethoxy)-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 46662287
4-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 24551846
N-[(4-methoxyphenyl)methyl]-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 51240858
N-methyl-2-(4-propanoylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55550790
3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid
CID 75405754
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propanoylphenoxy)acetamide (CID 55416112) is N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is SJZNRRLSOLDVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-3-23(27)20-9-13-22(14-10-20)29-18-24(28)25(2)17-19-7-11-21(12-8-19)26-15-5-4-6-16-26/h7-14H,3-6,15-18H2,1-2H3.
What are the key properties of N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propanoylphenoxy)acetamide?
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 394.52 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 55416112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).