1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one

C20H28N2O3 — CID 111434188

IUPAC1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
SMILESCC(O)C1CCN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C20H28N2O3/c1-16(23)18-8-10-22(11-9-18)20(24)7-4-17-2-5-19(6-3-17)21-12-14-25-15-13-21/h2-7,16,18,23H,8-15H2,1H3
InChIKeyQNOKCPZAJOYVOR-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.16
Rot. Bonds4

About 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one

1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one (PubChem CID 111434188) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
PubChem CID111434188
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
SMILESCC(O)C1CCN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C20H28N2O3/c1-16(23)18-8-10-22(11-9-18)20(24)7-4-17-2-5-19(6-3-17)21-12-14-25-15-13-21/h2-7,16,18,23H,8-15H2,1H3
InChIKeyQNOKCPZAJOYVOR-UHFFFAOYSA-N
XLogP2.16
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
The IUPAC name of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one (CID 111434188) is 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
The canonical SMILES for 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one is CC(O)C1CCN(C(=O)C=Cc2ccc(N3CCOCC3)cc2)CC1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
The InChIKey is QNOKCPZAJOYVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-16(23)18-8-10-22(11-9-18)20(24)7-4-17-2-5-19(6-3-17)21-12-14-25-15-13-21/h2-7,16,18,23H,8-15H2,1H3.
What are the key properties of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one has a molecular weight of 344.46 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 111434188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).