1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione

C25H36N2O5 — CID 55683627

IUPAC1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione
SMILESCCCOc1ccc(C(=O)CCC(=O)N2CCC(C(=O)N3CC(C)OC(C)C3)CC2)cc1
InChIInChI=1S/C25H36N2O5/c1-4-15-31-22-7-5-20(6-8-22)23(28)9-10-24(29)26-13-11-21(12-14-26)25(30)27-16-18(2)32-19(3)17-27/h5-8,18-19,21H,4,9-17H2,1-3H3
InChIKeyMKVZGUHXBXIDML-UHFFFAOYSA-N
MW444.57 g/mol
LogP3.31
Rot. Bonds8

About 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione

1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione (PubChem CID 55683627) has the molecular formula C25H36N2O5 and a molecular weight of 444.57 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione.

Molecular Properties

Compound Name1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione
PubChem CID55683627
Molecular FormulaC25H36N2O5
Molecular Weight444.57 g/mol
Exact Mass444.26
IUPAC Name1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione
SMILESCCCOc1ccc(C(=O)CCC(=O)N2CCC(C(=O)N3CC(C)OC(C)C3)CC2)cc1
InChIInChI=1S/C25H36N2O5/c1-4-15-31-22-7-5-20(6-8-22)23(28)9-10-24(29)26-13-11-21(12-14-26)25(30)27-16-18(2)32-19(3)17-27/h5-8,18-19,21H,4,9-17H2,1-3H3
InChIKeyMKVZGUHXBXIDML-UHFFFAOYSA-N
XLogP3.31
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.57
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione with MolForge

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Related Compounds

3-(3,4-dichlorophenoxy)-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 55672944
1-(3-aminopiperidin-1-yl)-4-(4-propoxyphenyl)butane-1,4-dione
CID 119377036
methyl 1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-4-carboxylate
CID 4800489
[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 95277217
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione
CID 78777581
1-(4-methylpiperazin-1-yl)-4-(4-pentoxyphenyl)butane-1,4-dione
CID 112759546
1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride
CID 119376549
1-(4-methylphenyl)-4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]butane-1,4-dione
CID 55662229
1-[3-(4-propoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 119166313
3-anilino-1-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]propan-1-one
CID 52512933
3-anilino-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 51122405
cyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone
CID 110801609

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione?
The IUPAC name of 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione (CID 55683627) is 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione.
What is the SMILES notation for 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione?
The canonical SMILES for 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione is CCCOc1ccc(C(=O)CCC(=O)N2CCC(C(=O)N3CC(C)OC(C)C3)CC2)cc1.
What is the InChIKey of 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione?
The InChIKey is MKVZGUHXBXIDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O5/c1-4-15-31-22-7-5-20(6-8-22)23(28)9-10-24(29)26-13-11-21(12-14-26)25(30)27-16-18(2)32-19(3)17-27/h5-8,18-19,21H,4,9-17H2,1-3H3.
What are the key properties of 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione?
1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione has a molecular weight of 444.57 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione is sourced from PubChem (CID 55683627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).