N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide

C22H29N3O — CID 108999945

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide
SMILESCC1CCN(c2ccc(NC(=O)CNCCc3ccccc3)cc2)CC1
InChIInChI=1S/C22H29N3O/c1-18-12-15-25(16-13-18)21-9-7-20(8-10-21)24-22(26)17-23-14-11-19-5-3-2-4-6-19/h2-10,18,23H,11-17H2,1H3,(H,24,26)
InChIKeyJRLCCKLTRGWRGQ-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.69
Rot. Bonds7

About N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide

N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide (PubChem CID 108999945) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide
PubChem CID108999945
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide
SMILESCC1CCN(c2ccc(NC(=O)CNCCc3ccccc3)cc2)CC1
InChIInChI=1S/C22H29N3O/c1-18-12-15-25(16-13-18)21-9-7-20(8-10-21)24-22(26)17-23-14-11-19-5-3-2-4-6-19/h2-10,18,23H,11-17H2,1H3,(H,24,26)
InChIKeyJRLCCKLTRGWRGQ-UHFFFAOYSA-N
XLogP3.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
CID 60672154
N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-phenylpropyl)oxamide
CID 108986246
2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 108995156
N'-benzyl-N'-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]propanediamide
CID 108946159
2-[acetyl(benzyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 113161313
2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109007619
2-[2-(4-methoxyphenoxy)ethylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109005273
2-(3-aminophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 28712286
2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109009876
1-benzyl-1-ethyl-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108989048
2-(3,5-dioxopyrazolidin-4-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 110703367
N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 109007147

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide (CID 108999945) is N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide is CC1CCN(c2ccc(NC(=O)CNCCc3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide?
The InChIKey is JRLCCKLTRGWRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-18-12-15-25(16-13-18)21-9-7-20(8-10-21)24-22(26)17-23-14-11-19-5-3-2-4-6-19/h2-10,18,23H,11-17H2,1H3,(H,24,26).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide has a molecular weight of 351.49 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide is sourced from PubChem (CID 108999945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).