3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-N-phenylnaphthalene-2-carboxamide

C30H28FN3O3 — CID 22264362

IUPAC3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-N-phenylnaphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2ccccc2cc1OCC(=O)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C30H28FN3O3/c31-25-12-10-22(11-13-25)20-33-14-16-34(17-15-33)29(35)21-37-28-19-24-7-5-4-6-23(24)18-27(28)30(36)32-26-8-2-1-3-9-26/h1-13,18-19H,14-17,20-21H2,(H,32,36)
InChIKeyVWLZDLYRMFJKHO-UHFFFAOYSA-N
MW497.57 g/mol
LogP4.95
Rot. Bonds7

About 3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-N-phenylnaphthalene-2-carboxamide

3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-N-phenylnaphthalene-2-carboxamide (PubChem CID 22264362) has the molecular formula C30H28FN3O3 and a molecular weight of 497.57 g/mol. Its IUPAC name is 3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-N-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-N-phenylnaphthalene-2-carboxamide
PubChem CID22264362
Molecular FormulaC30H28FN3O3
Molecular Weight497.57 g/mol
Exact Mass497.21
IUPAC Name3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-N-phenylnaphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2ccccc2cc1OCC(=O)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C30H28FN3O3/c31-25-12-10-22(11-13-25)20-33-14-16-34(17-15-33)29(35)21-37-28-19-24-7-5-4-6-23(24)18-27(28)30(36)32-26-8-2-1-3-9-26/h1-13,18-19H,14-17,20-21H2,(H,32,36)
InChIKeyVWLZDLYRMFJKHO-UHFFFAOYSA-N
XLogP4.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 704351
5-chloro-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-phenylbenzamide
CID 24578731
N-[2-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]phenyl]sulfonylacetamide
CID 10138719
1-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1357381
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-6-fluorobenzoic acid
CID 22264040
1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 2476156
3-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 78896184
2-(2-methylphenoxy)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 19297256
2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110084796
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[2-(trifluoromethyl)phenoxy]ethanone
CID 22265251
1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone
CID 22264923

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-N-phenylnaphthalene-2-carboxamide?
The IUPAC name of 3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-N-phenylnaphthalene-2-carboxamide (CID 22264362) is 3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-N-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for 3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-N-phenylnaphthalene-2-carboxamide?
The canonical SMILES for 3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-N-phenylnaphthalene-2-carboxamide is O=C(Nc1ccccc1)c1cc2ccccc2cc1OCC(=O)N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-N-phenylnaphthalene-2-carboxamide?
The InChIKey is VWLZDLYRMFJKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN3O3/c31-25-12-10-22(11-13-25)20-33-14-16-34(17-15-33)29(35)21-37-28-19-24-7-5-4-6-23(24)18-27(28)30(36)32-26-8-2-1-3-9-26/h1-13,18-19H,14-17,20-21H2,(H,32,36).
What are the key properties of 3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-N-phenylnaphthalene-2-carboxamide?
3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-N-phenylnaphthalene-2-carboxamide has a molecular weight of 497.57 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-N-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 22264362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).