2-hydroxy-6-[4-(morpholine-4-carbonyl)piperidin-1-yl]naphthalene-1-carbaldehyde

C21H24N2O4 — CID 88947286

IUPAC2-hydroxy-6-[4-(morpholine-4-carbonyl)piperidin-1-yl]naphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(N3CCC(C(=O)N4CCOCC4)CC3)ccc12
InChIInChI=1S/C21H24N2O4/c24-14-19-18-3-2-17(13-16(18)1-4-20(19)25)22-7-5-15(6-8-22)21(26)23-9-11-27-12-10-23/h1-4,13-15,25H,5-12H2
InChIKeyUQNDZXBGUMCFQN-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.43
Rot. Bonds3

About 2-hydroxy-6-[4-(morpholine-4-carbonyl)piperidin-1-yl]naphthalene-1-carbaldehyde

2-hydroxy-6-[4-(morpholine-4-carbonyl)piperidin-1-yl]naphthalene-1-carbaldehyde (PubChem CID 88947286) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-hydroxy-6-[4-(morpholine-4-carbonyl)piperidin-1-yl]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[4-(morpholine-4-carbonyl)piperidin-1-yl]naphthalene-1-carbaldehyde
PubChem CID88947286
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-hydroxy-6-[4-(morpholine-4-carbonyl)piperidin-1-yl]naphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(N3CCC(C(=O)N4CCOCC4)CC3)ccc12
InChIInChI=1S/C21H24N2O4/c24-14-19-18-3-2-17(13-16(18)1-4-20(19)25)22-7-5-15(6-8-22)21(26)23-9-11-27-12-10-23/h1-4,13-15,25H,5-12H2
InChIKeyUQNDZXBGUMCFQN-UHFFFAOYSA-N
XLogP2.43
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[4-(morpholine-4-carbonyl)piperidin-1-yl]naphthalene-1-carbaldehyde?
The IUPAC name of 2-hydroxy-6-[4-(morpholine-4-carbonyl)piperidin-1-yl]naphthalene-1-carbaldehyde (CID 88947286) is 2-hydroxy-6-[4-(morpholine-4-carbonyl)piperidin-1-yl]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-6-[4-(morpholine-4-carbonyl)piperidin-1-yl]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-6-[4-(morpholine-4-carbonyl)piperidin-1-yl]naphthalene-1-carbaldehyde is O=Cc1c(O)ccc2cc(N3CCC(C(=O)N4CCOCC4)CC3)ccc12.
What is the InChIKey of 2-hydroxy-6-[4-(morpholine-4-carbonyl)piperidin-1-yl]naphthalene-1-carbaldehyde?
The InChIKey is UQNDZXBGUMCFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-14-19-18-3-2-17(13-16(18)1-4-20(19)25)22-7-5-15(6-8-22)21(26)23-9-11-27-12-10-23/h1-4,13-15,25H,5-12H2.
What are the key properties of 2-hydroxy-6-[4-(morpholine-4-carbonyl)piperidin-1-yl]naphthalene-1-carbaldehyde?
2-hydroxy-6-[4-(morpholine-4-carbonyl)piperidin-1-yl]naphthalene-1-carbaldehyde has a molecular weight of 368.43 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[4-(morpholine-4-carbonyl)piperidin-1-yl]naphthalene-1-carbaldehyde is sourced from PubChem (CID 88947286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).