[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 6-oxopiperidine-3-carboxylate

C19H25N3O5 — CID 71887864

IUPAC[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 6-oxopiperidine-3-carboxylate
SMILESCC(OC(=O)C1CCC(=O)NC1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H25N3O5/c1-13(27-19(25)14-2-7-17(23)20-12-14)18(24)21-15-3-5-16(6-4-15)22-8-10-26-11-9-22/h3-6,13-14H,2,7-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyMRXQJDXVXKNQCM-UHFFFAOYSA-N
MW375.43 g/mol
LogP0.92
Rot. Bonds5

About [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 6-oxopiperidine-3-carboxylate

[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 6-oxopiperidine-3-carboxylate (PubChem CID 71887864) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Name[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 6-oxopiperidine-3-carboxylate
PubChem CID71887864
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 6-oxopiperidine-3-carboxylate
SMILESCC(OC(=O)C1CCC(=O)NC1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H25N3O5/c1-13(27-19(25)14-2-7-17(23)20-12-14)18(24)21-15-3-5-16(6-4-15)22-8-10-26-11-9-22/h3-6,13-14H,2,7-12H2,1H3,(H,20,23)(H,21,24)
InChIKeyMRXQJDXVXKNQCM-UHFFFAOYSA-N
XLogP0.92
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] (1R)-cyclohex-3-ene-1-carboxylate
CID 7932446
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] (1'R,5'S)-spiro[1,3-dithiolane-2,9'-bicyclo[3.3.1]nonane]-3'-carboxylate
CID 40834845
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 55318916
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 7376519
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 7261537
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 42978909
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2,4,6-trimethylbenzoate
CID 29324450
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2,4,6-trimethylbenzoate
CID 29324452
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7753036
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 42974506
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] pyrazine-2-carboxylate
CID 7259407
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide
CID 122355146

Frequently Asked Questions

What is the IUPAC name of [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 6-oxopiperidine-3-carboxylate?
The IUPAC name of [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 6-oxopiperidine-3-carboxylate (CID 71887864) is [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 6-oxopiperidine-3-carboxylate.
What is the SMILES notation for [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 6-oxopiperidine-3-carboxylate?
The canonical SMILES for [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 6-oxopiperidine-3-carboxylate is CC(OC(=O)C1CCC(=O)NC1)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 6-oxopiperidine-3-carboxylate?
The InChIKey is MRXQJDXVXKNQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-13(27-19(25)14-2-7-17(23)20-12-14)18(24)21-15-3-5-16(6-4-15)22-8-10-26-11-9-22/h3-6,13-14H,2,7-12H2,1H3,(H,20,23)(H,21,24).
What are the key properties of [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 6-oxopiperidine-3-carboxylate?
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 6-oxopiperidine-3-carboxylate has a molecular weight of 375.43 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 71887864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).