1-(4-ethylphenyl)-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]butane-1,4-dione

C22H30N2O4 — CID 55517872

IUPAC1-(4-ethylphenyl)-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]butane-1,4-dione
SMILESCCc1ccc(C(=O)CCC(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C22H30N2O4/c1-2-17-5-7-18(8-6-17)20(25)9-10-21(26)24-11-3-4-19(16-24)22(27)23-12-14-28-15-13-23/h5-8,19H,2-4,9-16H2,1H3
InChIKeyAVSJMDLWNWOIRP-UHFFFAOYSA-N
MW386.49 g/mol
LogP2.31
Rot. Bonds6

About 1-(4-ethylphenyl)-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]butane-1,4-dione

1-(4-ethylphenyl)-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]butane-1,4-dione (PubChem CID 55517872) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]butane-1,4-dione.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]butane-1,4-dione
PubChem CID55517872
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name1-(4-ethylphenyl)-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]butane-1,4-dione
SMILESCCc1ccc(C(=O)CCC(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C22H30N2O4/c1-2-17-5-7-18(8-6-17)20(25)9-10-21(26)24-11-3-4-19(16-24)22(27)23-12-14-28-15-13-23/h5-8,19H,2-4,9-16H2,1H3
InChIKeyAVSJMDLWNWOIRP-UHFFFAOYSA-N
XLogP2.31
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethylphenyl)-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]butane-1,4-dione with MolForge

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Related Compounds

ethyl 1-[4-(4-ethylphenyl)-4-oxobutanoyl]piperidine-3-carboxylate
CID 78782505
1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-4-(4-ethylphenyl)butane-1,4-dione
CID 95157083
3-(3-methylphenyl)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 134000175
1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 47059658
[1-[4-(aminomethyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 119277068
4-chloro-N-[3-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-oxopropyl]benzamide
CID 18146077
1-[4-(4-ethylphenyl)-4-oxobutanoyl]piperidine-4-carboxylic acid
CID 119349834
1-(4-methylphenyl)-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110305871
[1-(4-aminobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 119700503
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione
CID 55689728
1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-2-phenylsulfanylethanone
CID 75838690
7-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]heptan-1-one;hydrochloride
CID 119700490

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]butane-1,4-dione?
The IUPAC name of 1-(4-ethylphenyl)-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]butane-1,4-dione (CID 55517872) is 1-(4-ethylphenyl)-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]butane-1,4-dione.
What is the SMILES notation for 1-(4-ethylphenyl)-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]butane-1,4-dione?
The canonical SMILES for 1-(4-ethylphenyl)-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]butane-1,4-dione is CCc1ccc(C(=O)CCC(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]butane-1,4-dione?
The InChIKey is AVSJMDLWNWOIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-2-17-5-7-18(8-6-17)20(25)9-10-21(26)24-11-3-4-19(16-24)22(27)23-12-14-28-15-13-23/h5-8,19H,2-4,9-16H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]butane-1,4-dione?
1-(4-ethylphenyl)-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]butane-1,4-dione has a molecular weight of 386.49 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-[3-(morpholine-4-carbonyl)piperidin-1-yl]butane-1,4-dione is sourced from PubChem (CID 55517872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).