1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid

C18H32N2O4 — CID 17369286

IUPAC1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid
SMILESC1CCCN(C2CCN(C3CCCC3)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H30N2.C2H2O4/c1-2-6-12-17(11-5-1)16-9-13-18(14-10-16)15-7-3-4-8-15;3-1(4)2(5)6/h15-16H,1-14H2;(H,3,4)(H,5,6)
InChIKeyZVMIIDYCUVOWTM-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.42
Rot. Bonds2

About 1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid

1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid (PubChem CID 17369286) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is 1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid.

Molecular Properties

Compound Name1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid
PubChem CID17369286
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid
SMILESC1CCCN(C2CCN(C3CCCC3)CC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C16H30N2.C2H2O4/c1-2-6-12-17(11-5-1)16-9-13-18(14-10-16)15-7-3-4-8-15;3-1(4)2(5)6/h15-16H,1-14H2;(H,3,4)(H,5,6)
InChIKeyZVMIIDYCUVOWTM-UHFFFAOYSA-N
XLogP2.42
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.42
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

1,4-dicyclopentylpiperazine;oxalic acid
CID 17369822
4-(1-cyclopentylpiperidin-4-yl)morpholine;oxalic acid
CID 17369368
1-cyclohexylazocane
CID 23151203
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
1-cyclohexylpiperidine;methane
CID 143122486
4-piperidin-1-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 69300951
1-(1-cycloheptylpiperidin-3-yl)ethanone
CID 82926630
CID 175727151
CID 175727151
1-cyclopropylpiperidine
CID 10909573
1-cyclopropylpiperidine;2,2,2-trifluoroacetic acid
CID 71116090
[1,4'-Bipiperidine]-1'-aceticacid,potassiumsalt(1:1)
CID 70199542

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid?
The IUPAC name of 1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid (CID 17369286) is 1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid.
What is the SMILES notation for 1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid?
The canonical SMILES for 1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid is C1CCCN(C2CCN(C3CCCC3)CC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid?
The InChIKey is ZVMIIDYCUVOWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2.C2H2O4/c1-2-6-12-17(11-5-1)16-9-13-18(14-10-16)15-7-3-4-8-15;3-1(4)2(5)6/h15-16H,1-14H2;(H,3,4)(H,5,6).
What are the key properties of 1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid?
1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid has a molecular weight of 340.46 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid is sourced from PubChem (CID 17369286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).