N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide

C23H31N3O2 — CID 87015230

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
SMILESCOCc1cccc(CNC(=O)CN2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C23H31N3O2/c1-28-19-22-9-5-8-21(16-22)17-24-23(27)18-26-14-12-25(13-15-26)11-10-20-6-3-2-4-7-20/h2-9,16H,10-15,17-19H2,1H3,(H,24,27)
InChIKeyIIVPNTBOOACSOT-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.31
Rot. Bonds9

About N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide

N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide (PubChem CID 87015230) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
PubChem CID87015230
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
SMILESCOCc1cccc(CNC(=O)CN2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C23H31N3O2/c1-28-19-22-9-5-8-21(16-22)17-24-23(27)18-26-14-12-25(13-15-26)11-10-20-6-3-2-4-7-20/h2-9,16H,10-15,17-19H2,1H3,(H,24,27)
InChIKeyIIVPNTBOOACSOT-UHFFFAOYSA-N
XLogP2.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943408
1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 56796668
2-[3-(hydroxymethyl)piperidin-1-yl]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 111750191
(3S,4S)-1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120954430
4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 54896358
N-benzyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 51329271
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 18125323
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 78898036
N-benzyl-2-[4-[2-(3-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487815
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 38198135

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide (CID 87015230) is N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide is COCc1cccc(CNC(=O)CN2CCN(CCc3ccccc3)CC2)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
The InChIKey is IIVPNTBOOACSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-28-19-22-9-5-8-21(16-22)17-24-23(27)18-26-14-12-25(13-15-26)11-10-20-6-3-2-4-7-20/h2-9,16H,10-15,17-19H2,1H3,(H,24,27).
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide has a molecular weight of 381.52 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 87015230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).