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

C16H28N2O5 — CID 17369368

IUPAC4-(1-cyclopentylpiperidin-4-yl)morpholine;oxalic acid
SMILESC1CCC(N2CCC(N3CCOCC3)CC2)C1.O=C(O)C(=O)O
InChIInChI=1S/C14H26N2O.C2H2O4/c1-2-4-13(3-1)15-7-5-14(6-8-15)16-9-11-17-12-10-16;3-1(4)2(5)6/h13-14H,1-12H2;(H,3,4)(H,5,6)
InChIKeyKRZDUSVSSABIPE-UHFFFAOYSA-N
MW328.41 g/mol
LogP0.88
Rot. Bonds2

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

4-(1-cyclopentylpiperidin-4-yl)morpholine;oxalic acid (PubChem CID 17369368) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-(1-cyclopentylpiperidin-4-yl)morpholine;oxalic acid.

Molecular Properties

Compound Name4-(1-cyclopentylpiperidin-4-yl)morpholine;oxalic acid
PubChem CID17369368
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Name4-(1-cyclopentylpiperidin-4-yl)morpholine;oxalic acid
SMILESC1CCC(N2CCC(N3CCOCC3)CC2)C1.O=C(O)C(=O)O
InChIInChI=1S/C14H26N2O.C2H2O4/c1-2-4-13(3-1)15-7-5-14(6-8-15)16-9-11-17-12-10-16;3-1(4)2(5)6/h13-14H,1-12H2;(H,3,4)(H,5,6)
InChIKeyKRZDUSVSSABIPE-UHFFFAOYSA-N
XLogP0.88
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
1,4-dicyclopentylpiperazine;oxalic acid
CID 17369822
4-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 23062598
4-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]morpholine;oxalic acid
CID 17369370
4-morpholin-4-ylpiperidine-1-carbonyl chloride
CID 15700344
4-(oxepan-4-yl)morpholine
CID 131201603
5-cyclopentyl-1,5-oxazocane
CID 174168377
N-cyclohexyl-3-morpholin-4-ylpiperidine-1-carboxamide
CID 45248209
4-cyclopentyl-N-(oxan-4-yl)piperazine-1-carboxamide
CID 121184730
4-cyclopropylmorpholine;ethane
CID 155594914
1-(4-morpholin-4-ylcyclohexyl)ethanone
CID 58356036
4-(1-sulfanylpiperidin-4-yl)morpholine
CID 123604747

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentylpiperidin-4-yl)morpholine;oxalic acid?
The IUPAC name of 4-(1-cyclopentylpiperidin-4-yl)morpholine;oxalic acid (CID 17369368) is 4-(1-cyclopentylpiperidin-4-yl)morpholine;oxalic acid.
What is the SMILES notation for 4-(1-cyclopentylpiperidin-4-yl)morpholine;oxalic acid?
The canonical SMILES for 4-(1-cyclopentylpiperidin-4-yl)morpholine;oxalic acid is C1CCC(N2CCC(N3CCOCC3)CC2)C1.O=C(O)C(=O)O.
What is the InChIKey of 4-(1-cyclopentylpiperidin-4-yl)morpholine;oxalic acid?
The InChIKey is KRZDUSVSSABIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.C2H2O4/c1-2-4-13(3-1)15-7-5-14(6-8-15)16-9-11-17-12-10-16;3-1(4)2(5)6/h13-14H,1-12H2;(H,3,4)(H,5,6).
What are the key properties of 4-(1-cyclopentylpiperidin-4-yl)morpholine;oxalic acid?
4-(1-cyclopentylpiperidin-4-yl)morpholine;oxalic acid has a molecular weight of 328.41 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentylpiperidin-4-yl)morpholine;oxalic acid is sourced from PubChem (CID 17369368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).