(4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone

C19H26N2O3 — CID 126836712

IUPAC(4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1ccccc1C(=O)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C19H26N2O3/c1-2-13-24-18-6-4-3-5-17(18)19(22)21-9-7-16(8-10-21)20-11-14-23-15-12-20/h2-6,16H,1,7-15H2
InChIKeySXDFQEDIGPYZGH-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.19
Rot. Bonds5

About (4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone

(4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone (PubChem CID 126836712) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone.

Molecular Properties

Compound Name(4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone
PubChem CID126836712
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1ccccc1C(=O)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C19H26N2O3/c1-2-13-24-18-6-4-3-5-17(18)19(22)21-9-7-16(8-10-21)20-11-14-23-15-12-20/h2-6,16H,1,7-15H2
InChIKeySXDFQEDIGPYZGH-UHFFFAOYSA-N
XLogP2.19
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone
CID 43417500
1-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one
CID 50846376
piperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119403725
[(1S,5R)-8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl]-(2-prop-2-enoxyphenyl)methanone
CID 90649891
1,2-oxazolidin-2-yl-(2-prop-2-enoxyphenyl)methanone
CID 113375734
(3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119381620
[2-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 50846409
2-[4-(2-prop-2-enoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248384
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-prop-2-enoxyphenyl)methanone
CID 120658652
(2-methylphenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 110472085
(2-aminophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 119946729
[4-[(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-(2-prop-2-enoxyphenyl)methanone
CID 50966196

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone?
The IUPAC name of (4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone (CID 126836712) is (4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone.
What is the SMILES notation for (4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone?
The canonical SMILES for (4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone is C=CCOc1ccccc1C(=O)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of (4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone?
The InChIKey is SXDFQEDIGPYZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-13-24-18-6-4-3-5-17(18)19(22)21-9-7-16(8-10-21)20-11-14-23-15-12-20/h2-6,16H,1,7-15H2.
What are the key properties of (4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone?
(4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone has a molecular weight of 330.43 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone is sourced from PubChem (CID 126836712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).