N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide

C26H36FN3O2 — CID 23724075

IUPACN-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N(CCN(C)C)CC2CCCN(Cc3ccccc3F)C2)cc1
InChIInChI=1S/C26H36FN3O2/c1-28(2)15-16-30(26(31)17-21-10-12-24(32-3)13-11-21)19-22-7-6-14-29(18-22)20-23-8-4-5-9-25(23)27/h4-5,8-13,22H,6-7,14-20H2,1-3H3
InChIKeyDXWHLTFYBKVFRW-UHFFFAOYSA-N
MW441.59 g/mol
LogP3.68
Rot. Bonds10

About N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide

N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 23724075) has the molecular formula C26H36FN3O2 and a molecular weight of 441.59 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
PubChem CID23724075
Molecular FormulaC26H36FN3O2
Molecular Weight441.59 g/mol
Exact Mass441.28
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N(CCN(C)C)CC2CCCN(Cc3ccccc3F)C2)cc1
InChIInChI=1S/C26H36FN3O2/c1-28(2)15-16-30(26(31)17-21-10-12-24(32-3)13-11-21)19-22-7-6-14-29(18-22)20-23-8-4-5-9-25(23)27/h4-5,8-13,22H,6-7,14-20H2,1-3H3
InChIKeyDXWHLTFYBKVFRW-UHFFFAOYSA-N
XLogP3.68
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.59
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Snc 80
CID 123924
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
AC-90179
CID 9799308
(2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone
CID 99794612
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone
CID 68269754
1-[4-(4-Methoxy-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 742519
1-[(4-Methoxyphenyl)acetyl]-4-methylpiperazine
CID 551032
1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
(6Z)-1-benzoyl-4-(4-fluorobenzyl)-5-(4-methoxyphenyl)-5,8-dihydro-2H-1,4-diazocin-3-one
CID 16746512
(2,6-Dimethylphenyl)-[4-methyl-4-[4-[[4-(trifluoromethoxy)phenyl]methyl]-1-piperidyl]-1-piperidyl]methanone
CID 511305
(2,6-Dimethylphenyl)-[4-[4-[(4-methoxyphenyl)methyl]-1-piperidyl]-4-methyl-1-piperidyl]methanone
CID 511306
1-[4-(2-Fluoro-benzoyl)-piperazin-1-yl]-2-phenoxy-ethanone
CID 695010

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide (CID 23724075) is N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)N(CCN(C)C)CC2CCCN(Cc3ccccc3F)C2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is DXWHLTFYBKVFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN3O2/c1-28(2)15-16-30(26(31)17-21-10-12-24(32-3)13-11-21)19-22-7-6-14-29(18-22)20-23-8-4-5-9-25(23)27/h4-5,8-13,22H,6-7,14-20H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide?
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 441.59 g/mol, XLogP of 3.68, 10 rotatable bonds, 0 hydrogen bond donors, and 4 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-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 23724075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).