[4-[(4-methylphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone;oxalic acid

C25H26N2O5 — CID 17385082

IUPAC[4-[(4-methylphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone;oxalic acid
SMILESCc1ccc(CN2CCN(C(=O)c3cccc4ccccc34)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C23H24N2O.C2H2O4/c1-18-9-11-19(12-10-18)17-24-13-15-25(16-14-24)23(26)22-8-4-6-20-5-2-3-7-21(20)22;3-1(4)2(5)6/h2-12H,13-17H2,1H3;(H,3,4)(H,5,6)
InChIKeyRUNLIWMUQDEYSY-UHFFFAOYSA-N
MW434.49 g/mol
LogP3.26
Rot. Bonds3

About [4-[(4-methylphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone;oxalic acid

[4-[(4-methylphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone;oxalic acid (PubChem CID 17385082) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is [4-[(4-methylphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone;oxalic acid.

Molecular Properties

Compound Name[4-[(4-methylphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone;oxalic acid
PubChem CID17385082
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name[4-[(4-methylphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone;oxalic acid
SMILESCc1ccc(CN2CCN(C(=O)c3cccc4ccccc34)CC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C23H24N2O.C2H2O4/c1-18-9-11-19(12-10-18)17-24-13-15-25(16-14-24)23(26)22-8-4-6-20-5-2-3-7-21(20)22;3-1(4)2(5)6/h2-12H,13-17H2,1H3;(H,3,4)(H,5,6)
InChIKeyRUNLIWMUQDEYSY-UHFFFAOYSA-N
XLogP3.26
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze [4-[(4-methylphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone;oxalic acid with MolForge

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Related Compounds

Bunaftine
CID 36131
2-Naphthalenyl-1-piperidinylmethanone
CID 593461
Azonafide
CID 9948896
N,N-Diethyl-4-(naphthalen-1-yl-piperidin-4-ylidene-methyl)-benzamide
CID 10620902
(4-Methylpiperidin-1-yl)-naphthalen-2-ylmethanone
CID 883764
4-(Naphthalene-2-carbonyl)-piperazine-1-carboxylic acid ethyl ester
CID 883848
(3,5-Dimethylpiperidin-1-yl)-naphthalen-2-ylmethanone
CID 24686521
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide
CID 24819765
Csaiswhxokkehx-uhfffaoysa-
CID 10520573
Zrlalqakncphql-uhfffaoysa-
CID 10670939
Pmumpmkprnwoag-uhfffaoysa-
CID 10718134
Auebofazjrkwrr-uhfffaoysa-
CID 10831452

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone;oxalic acid?
The IUPAC name of [4-[(4-methylphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone;oxalic acid (CID 17385082) is [4-[(4-methylphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone;oxalic acid.
What is the SMILES notation for [4-[(4-methylphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone;oxalic acid?
The canonical SMILES for [4-[(4-methylphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone;oxalic acid is Cc1ccc(CN2CCN(C(=O)c3cccc4ccccc34)CC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of [4-[(4-methylphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone;oxalic acid?
The InChIKey is RUNLIWMUQDEYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O.C2H2O4/c1-18-9-11-19(12-10-18)17-24-13-15-25(16-14-24)23(26)22-8-4-6-20-5-2-3-7-21(20)22;3-1(4)2(5)6/h2-12H,13-17H2,1H3;(H,3,4)(H,5,6).
What are the key properties of [4-[(4-methylphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone;oxalic acid?
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone;oxalic acid has a molecular weight of 434.49 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylphenyl)methyl]piperazin-1-yl]-naphthalen-1-ylmethanone;oxalic acid is sourced from PubChem (CID 17385082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).