N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(2-methylphenyl)acetamide

C26H36FN3O — CID 23723726

IUPACN-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N(CCN(C)C)CC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C26H36FN3O/c1-21-9-4-5-11-23(21)17-26(31)30(16-15-28(2)3)19-22-10-8-14-29(18-22)20-24-12-6-7-13-25(24)27/h4-7,9,11-13,22H,8,10,14-20H2,1-3H3
InChIKeyYJUVHWDWVOGHQW-UHFFFAOYSA-N
MW425.59 g/mol
LogP3.98
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(2-methylphenyl)acetamide

N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(2-methylphenyl)acetamide (PubChem CID 23723726) has the molecular formula C26H36FN3O and a molecular weight of 425.59 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(2-methylphenyl)acetamide
PubChem CID23723726
Molecular FormulaC26H36FN3O
Molecular Weight425.59 g/mol
Exact Mass425.28
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)N(CCN(C)C)CC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C26H36FN3O/c1-21-9-4-5-11-23(21)17-26(31)30(16-15-28(2)3)19-22-10-8-14-29(18-22)20-24-12-6-7-13-25(24)27/h4-7,9,11-13,22H,8,10,14-20H2,1-3H3
InChIKeyYJUVHWDWVOGHQW-UHFFFAOYSA-N
XLogP3.98
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.59
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(2-methylphenyl)acetamide (CID 23723726) is N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)N(CCN(C)C)CC1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(2-methylphenyl)acetamide?
The InChIKey is YJUVHWDWVOGHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN3O/c1-21-9-4-5-11-23(21)17-26(31)30(16-15-28(2)3)19-22-10-8-14-29(18-22)20-24-12-6-7-13-25(24)27/h4-7,9,11-13,22H,8,10,14-20H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(2-methylphenyl)acetamide?
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(2-methylphenyl)acetamide has a molecular weight of 425.59 g/mol, XLogP of 3.98, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 23723726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).