[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone

C20H25N3O3 — CID 26026735

IUPAC[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(Cc2c(O)ccc3ccccc23)CC1
InChIInChI=1S/C20H25N3O3/c24-19-6-5-16-3-1-2-4-17(16)18(19)15-21-7-9-22(10-8-21)20(25)23-11-13-26-14-12-23/h1-6,24H,7-15H2
InChIKeyGHCYQNDLTUEOJC-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.12
Rot. Bonds2

About [4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone

[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 26026735) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID26026735
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCN(Cc2c(O)ccc3ccccc23)CC1
InChIInChI=1S/C20H25N3O3/c24-19-6-5-16-3-1-2-4-17(16)18(19)15-21-7-9-22(10-8-21)20(25)23-11-13-26-14-12-23/h1-6,24H,7-15H2
InChIKeyGHCYQNDLTUEOJC-UHFFFAOYSA-N
XLogP2.12
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone (CID 26026735) is [4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCN(Cc2c(O)ccc3ccccc23)CC1.
What is the InChIKey of [4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is GHCYQNDLTUEOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c24-19-6-5-16-3-1-2-4-17(16)18(19)15-21-7-9-22(10-8-21)20(25)23-11-13-26-14-12-23/h1-6,24H,7-15H2.
What are the key properties of [4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone?
[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 355.44 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 26026735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).