[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone;oxalic acid

C29H33N3O6 — CID 17369253

IUPAC[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone;oxalic acid
SMILESCOc1ccccc1N1CCN(C2CCN(C(=O)c3cccc4ccccc34)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C27H31N3O2.C2H2O4/c1-32-26-12-5-4-11-25(26)29-19-17-28(18-20-29)22-13-15-30(16-14-22)27(31)24-10-6-8-21-7-2-3-9-23(21)24;3-1(4)2(5)6/h2-12,22H,13-20H2,1H3;(H,3,4)(H,5,6)
InChIKeyCQSDJRCAKBIALQ-UHFFFAOYSA-N
MW519.60 g/mol
LogP3.43
Rot. Bonds4

About [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone;oxalic acid

[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone;oxalic acid (PubChem CID 17369253) has the molecular formula C29H33N3O6 and a molecular weight of 519.60 g/mol. Its IUPAC name is [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone;oxalic acid.

Molecular Properties

Compound Name[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone;oxalic acid
PubChem CID17369253
Molecular FormulaC29H33N3O6
Molecular Weight519.60 g/mol
Exact Mass519.24
IUPAC Name[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone;oxalic acid
SMILESCOc1ccccc1N1CCN(C2CCN(C(=O)c3cccc4ccccc34)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C27H31N3O2.C2H2O4/c1-32-26-12-5-4-11-25(26)29-19-17-28(18-20-29)22-13-15-30(16-14-22)27(31)24-10-6-8-21-7-2-3-9-23(21)24;3-1(4)2(5)6/h2-12,22H,13-20H2,1H3;(H,3,4)(H,5,6)
InChIKeyCQSDJRCAKBIALQ-UHFFFAOYSA-N
XLogP3.43
TPSA110.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.60
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid
CID 17369301
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
(2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 25288079
2-methoxy-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]benzamide
CID 108549225
[(4R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-4-yl] naphthalene-1-carboxylate
CID 45137551
ethyl 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]piperidine-1-carboxylate
CID 45246994
naphthalen-1-yl-[4-(4-phenylcyclohexyl)piperazin-1-yl]methanone
CID 1360777
(4-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 2910930
N-(3-methoxyphenyl)-1-[1-(naphthalene-1-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42881516
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 24719056
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone;oxalic acid?
The IUPAC name of [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone;oxalic acid (CID 17369253) is [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone;oxalic acid.
What is the SMILES notation for [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone;oxalic acid?
The canonical SMILES for [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone;oxalic acid is COc1ccccc1N1CCN(C2CCN(C(=O)c3cccc4ccccc34)CC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone;oxalic acid?
The InChIKey is CQSDJRCAKBIALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2.C2H2O4/c1-32-26-12-5-4-11-25(26)29-19-17-28(18-20-29)22-13-15-30(16-14-22)27(31)24-10-6-8-21-7-2-3-9-23(21)24;3-1(4)2(5)6/h2-12,22H,13-20H2,1H3;(H,3,4)(H,5,6).
What are the key properties of [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone;oxalic acid?
[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone;oxalic acid has a molecular weight of 519.60 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone;oxalic acid is sourced from PubChem (CID 17369253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).