1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid

C27H37N3O5 — CID 17369301

IUPAC1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid
SMILESCOc1ccccc1N1CCN(C2CCN(CCCc3ccccc3)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C25H35N3O.C2H2O4/c1-29-25-12-6-5-11-24(25)28-20-18-27(19-21-28)23-13-16-26(17-14-23)15-7-10-22-8-3-2-4-9-22;3-1(4)2(5)6/h2-6,8-9,11-12,23H,7,10,13-21H2,1H3;(H,3,4)(H,5,6)
InChIKeyMEWRYTOOMQINEQ-UHFFFAOYSA-N
MW483.61 g/mol
LogP3.07
Rot. Bonds7

About 1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid

1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid (PubChem CID 17369301) has the molecular formula C27H37N3O5 and a molecular weight of 483.61 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid
PubChem CID17369301
Molecular FormulaC27H37N3O5
Molecular Weight483.61 g/mol
Exact Mass483.27
IUPAC Name1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid
SMILESCOc1ccccc1N1CCN(C2CCN(CCCc3ccccc3)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C25H35N3O.C2H2O4/c1-29-25-12-6-5-11-24(25)28-20-18-27(19-21-28)23-13-16-26(17-14-23)15-7-10-22-8-3-2-4-9-22;3-1(4)2(5)6/h2-6,8-9,11-12,23H,7,10,13-21H2,1H3;(H,3,4)(H,5,6)
InChIKeyMEWRYTOOMQINEQ-UHFFFAOYSA-N
XLogP3.07
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 5115878
1-[1-(2-methoxyethyl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 91811532
1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine
CID 45237596
[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone;oxalic acid
CID 17369253
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
CID 127033889
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 1332232
oxalic acid;1-(4-phenylcyclohexyl)-4-(3-phenylpropyl)piperazine
CID 90483695
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one
CID 10565307
1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine
CID 28786689
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-phenylethanesulfonamide
CID 29344564
oxalic acid;1-phenyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]piperazine
CID 90484045

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid?
The IUPAC name of 1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid (CID 17369301) is 1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid is COc1ccccc1N1CCN(C2CCN(CCCc3ccccc3)CC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid?
The InChIKey is MEWRYTOOMQINEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O.C2H2O4/c1-29-25-12-6-5-11-24(25)28-20-18-27(19-21-28)23-13-16-26(17-14-23)15-7-10-22-8-3-2-4-9-22;3-1(4)2(5)6/h2-6,8-9,11-12,23H,7,10,13-21H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid?
1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid has a molecular weight of 483.61 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid is sourced from PubChem (CID 17369301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).