1-morpholin-4-yl-2-(4-piperidin-4-yloxyphenyl)prop-2-en-1-one

C18H24N2O3 — CID 141390317

IUPAC1-morpholin-4-yl-2-(4-piperidin-4-yloxyphenyl)prop-2-en-1-one
SMILESC=C(C(=O)N1CCOCC1)c1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C18H24N2O3/c1-14(18(21)20-10-12-22-13-11-20)15-2-4-16(5-3-15)23-17-6-8-19-9-7-17/h2-5,17,19H,1,6-13H2
InChIKeyORFJRIYBPRIMKG-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.69
Rot. Bonds4

About 1-morpholin-4-yl-2-(4-piperidin-4-yloxyphenyl)prop-2-en-1-one

1-morpholin-4-yl-2-(4-piperidin-4-yloxyphenyl)prop-2-en-1-one (PubChem CID 141390317) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(4-piperidin-4-yloxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(4-piperidin-4-yloxyphenyl)prop-2-en-1-one
PubChem CID141390317
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-morpholin-4-yl-2-(4-piperidin-4-yloxyphenyl)prop-2-en-1-one
SMILESC=C(C(=O)N1CCOCC1)c1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C18H24N2O3/c1-14(18(21)20-10-12-22-13-11-20)15-2-4-16(5-3-15)23-17-6-8-19-9-7-17/h2-5,17,19H,1,6-13H2
InChIKeyORFJRIYBPRIMKG-UHFFFAOYSA-N
XLogP1.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4-piperidin-4-yloxybenzoate;hydrochloride
CID 53410621
1-(4-cyclopropyloxyphenyl)-2-piperidin-4-yloxyethanone
CID 114520610
1-[4-(oxan-4-yloxy)phenyl]ethanone
CID 61288786
morpholin-4-yl-[5-[(3S)-pyrrolidin-3-yl]oxy-1H-indol-2-yl]methanone
CID 69282983
N-cyclopropyl-N-methyl-4-piperidin-4-yloxybenzamide
CID 143792433
(2,2,2-trifluoroacetyl) 4-piperidin-4-yloxybenzoate
CID 123933976
[4-[1-(oxan-4-yl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26314860
3-azabicyclo[3.2.2]nonan-3-yl-[4-[(3R)-pyrrolidin-3-yl]oxyphenyl]methanone
CID 124560162
1-morpholin-4-yl-2-piperazin-1-ylethane-1,2-dione
CID 7131953
[4-(oxan-4-yloxy)phenyl]-(3-propan-2-ylpiperazin-1-yl)methanone;hydrochloride
CID 141234549
morpholin-4-yl-[4-(piperidin-4-ylmethyl)phenyl]methanone;hydrochloride
CID 18539099
1-[4-(oxan-4-yloxy)phenyl]-1,4-diazepane
CID 63936915

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(4-piperidin-4-yloxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-morpholin-4-yl-2-(4-piperidin-4-yloxyphenyl)prop-2-en-1-one (CID 141390317) is 1-morpholin-4-yl-2-(4-piperidin-4-yloxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-(4-piperidin-4-yloxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-(4-piperidin-4-yloxyphenyl)prop-2-en-1-one is C=C(C(=O)N1CCOCC1)c1ccc(OC2CCNCC2)cc1.
What is the InChIKey of 1-morpholin-4-yl-2-(4-piperidin-4-yloxyphenyl)prop-2-en-1-one?
The InChIKey is ORFJRIYBPRIMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-14(18(21)20-10-12-22-13-11-20)15-2-4-16(5-3-15)23-17-6-8-19-9-7-17/h2-5,17,19H,1,6-13H2.
What are the key properties of 1-morpholin-4-yl-2-(4-piperidin-4-yloxyphenyl)prop-2-en-1-one?
1-morpholin-4-yl-2-(4-piperidin-4-yloxyphenyl)prop-2-en-1-one has a molecular weight of 316.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(4-piperidin-4-yloxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 141390317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).