(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid

C19H26N2O6 — CID 17366000

IUPAC(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid
SMILESCOc1cccc(C(=O)N2CCN(C3CCCC3)CC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H24N2O2.C2H2O4/c1-21-16-8-4-5-14(13-16)17(20)19-11-9-18(10-12-19)15-6-2-3-7-15;3-1(4)2(5)6/h4-5,8,13,15H,2-3,6-7,9-12H2,1H3;(H,3,4)(H,5,6)
InChIKeyOFOLXXPGUFTJQQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.55
Rot. Bonds3

About (4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid

(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid (PubChem CID 17366000) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid
PubChem CID17366000
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid
SMILESCOc1cccc(C(=O)N2CCN(C3CCCC3)CC2)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H24N2O2.C2H2O4/c1-21-16-8-4-5-14(13-16)17(20)19-11-9-18(10-12-19)15-6-2-3-7-15;3-1(4)2(5)6/h4-5,8,13,15H,2-3,6-7,9-12H2,1H3;(H,3,4)(H,5,6)
InChIKeyOFOLXXPGUFTJQQ-UHFFFAOYSA-N
XLogP1.55
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;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

(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 1360916
[4-[(1S,2S)-2-methoxycyclohexyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 26771859
1-[4-[1-(3-methoxybenzoyl)azetidin-3-yl]piperazin-1-yl]ethanone
CID 84579499
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
N-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693267
(4-cyclopentylpiperazin-1-yl)-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 55911978
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 142234561
[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 2912264

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid (CID 17366000) is (4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid is COc1cccc(C(=O)N2CCN(C3CCCC3)CC2)c1.O=C(O)C(=O)O.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid?
The InChIKey is OFOLXXPGUFTJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.C2H2O4/c1-21-16-8-4-5-14(13-16)17(20)19-11-9-18(10-12-19)15-6-2-3-7-15;3-1(4)2(5)6/h4-5,8,13,15H,2-3,6-7,9-12H2,1H3;(H,3,4)(H,5,6).
What are the key properties of (4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid?
(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid has a molecular weight of 378.43 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid is sourced from PubChem (CID 17366000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).