1,4-dicyclopentylpiperazine;oxalic acid

C16H28N2O4 — CID 17369822

IUPAC1,4-dicyclopentylpiperazine;oxalic acid
SMILESC1CCC(N2CCN(C3CCCC3)CC2)C1.O=C(O)C(=O)O
InChIInChI=1S/C14H26N2.C2H2O4/c1-2-6-13(5-1)15-9-11-16(12-10-15)14-7-3-4-8-14;3-1(4)2(5)6/h13-14H,1-12H2;(H,3,4)(H,5,6)
InChIKeyNITWWMZPNCFDOX-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.64
Rot. Bonds2

About 1,4-dicyclopentylpiperazine;oxalic acid

1,4-dicyclopentylpiperazine;oxalic acid (PubChem CID 17369822) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1,4-dicyclopentylpiperazine;oxalic acid.

Molecular Properties

Compound Name1,4-dicyclopentylpiperazine;oxalic acid
PubChem CID17369822
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name1,4-dicyclopentylpiperazine;oxalic acid
SMILESC1CCC(N2CCN(C3CCCC3)CC2)C1.O=C(O)C(=O)O
InChIInChI=1S/C14H26N2.C2H2O4/c1-2-6-13(5-1)15-9-11-16(12-10-15)14-7-3-4-8-14;3-1(4)2(5)6/h13-14H,1-12H2;(H,3,4)(H,5,6)
InChIKeyNITWWMZPNCFDOX-UHFFFAOYSA-N
XLogP1.64
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid
CID 17369286
4-(1-cyclopentylpiperidin-4-yl)morpholine;oxalic acid
CID 17369368
1-butan-2-yl-4-cyclohexylpiperazine;oxalic acid
CID 17369821
1-(4-cyclopentylpiperazin-1-yl)ethanone;ethane
CID 143413632
4-cyclopentylpiperazine-1-carboxamide
CID 57205906
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 112815528
1-benzyl-4-cyclohexylpiperazine;oxalic acid
CID 126476719
CID 175727151
CID 175727151
1-[(4-chlorophenyl)methyl]-4-cycloheptylpiperazine;oxalic acid
CID 17366730
1-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 62369000
cis-(1S,2R)-2-(4-cyclopentylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 114092241
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947

Frequently Asked Questions

What is the IUPAC name of 1,4-dicyclopentylpiperazine;oxalic acid?
The IUPAC name of 1,4-dicyclopentylpiperazine;oxalic acid (CID 17369822) is 1,4-dicyclopentylpiperazine;oxalic acid.
What is the SMILES notation for 1,4-dicyclopentylpiperazine;oxalic acid?
The canonical SMILES for 1,4-dicyclopentylpiperazine;oxalic acid is C1CCC(N2CCN(C3CCCC3)CC2)C1.O=C(O)C(=O)O.
What is the InChIKey of 1,4-dicyclopentylpiperazine;oxalic acid?
The InChIKey is NITWWMZPNCFDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2.C2H2O4/c1-2-6-13(5-1)15-9-11-16(12-10-15)14-7-3-4-8-14;3-1(4)2(5)6/h13-14H,1-12H2;(H,3,4)(H,5,6).
What are the key properties of 1,4-dicyclopentylpiperazine;oxalic acid?
1,4-dicyclopentylpiperazine;oxalic acid has a molecular weight of 312.41 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dicyclopentylpiperazine;oxalic acid is sourced from PubChem (CID 17369822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).