N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide

C23H31N3O2 — CID 86972269

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
SMILESCN(C)c1ccc(CNC(=O)CN2CCCC(COc3ccccc3)C2)cc1
InChIInChI=1S/C23H31N3O2/c1-25(2)21-12-10-19(11-13-21)15-24-23(27)17-26-14-6-7-20(16-26)18-28-22-8-4-3-5-9-22/h3-5,8-13,20H,6-7,14-18H2,1-2H3,(H,24,27)
InChIKeyRSFYUHGOOIQHRA-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.16
Rot. Bonds8

About N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide

N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide (PubChem CID 86972269) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
PubChem CID86972269
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
SMILESCN(C)c1ccc(CNC(=O)CN2CCCC(COc3ccccc3)C2)cc1
InChIInChI=1S/C23H31N3O2/c1-25(2)21-12-10-19(11-13-21)15-24-23(27)17-26-14-6-7-20(16-26)18-28-22-8-4-3-5-9-22/h3-5,8-13,20H,6-7,14-18H2,1-2H3,(H,24,27)
InChIKeyRSFYUHGOOIQHRA-UHFFFAOYSA-N
XLogP3.16
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide
CID 86972191
N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972224
N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972186
N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972270
N-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972219
methyl 3-[[2-[3-(phenoxymethyl)piperidin-1-yl]acetyl]amino]benzoate
CID 86972356
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972335
N-(2,5-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972182
2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 86972171
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-(3-ethylpiperidin-1-yl)acetamide
CID 154873870
N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972309
N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 110020180

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide (CID 86972269) is N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide is CN(C)c1ccc(CNC(=O)CN2CCCC(COc3ccccc3)C2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
The InChIKey is RSFYUHGOOIQHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-25(2)21-12-10-19(11-13-21)15-24-23(27)17-26-14-6-7-20(16-26)18-28-22-8-4-3-5-9-22/h3-5,8-13,20H,6-7,14-18H2,1-2H3,(H,24,27).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide has a molecular weight of 381.52 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 86972269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).