1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C18H22N2O4 — CID 126468398

IUPAC1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)N3CCOCC3)CC2)Oc2ccccc21
InChIInChI=1S/C18H22N2O4/c21-15-13-18(24-16-4-2-1-3-14(15)16)5-7-19(8-6-18)17(22)20-9-11-23-12-10-20/h1-4H,5-13H2
InChIKeySHCKUFUZZGYHLL-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.94
Rot. Bonds

About 1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 126468398) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID126468398
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)N3CCOCC3)CC2)Oc2ccccc21
InChIInChI=1S/C18H22N2O4/c21-15-13-18(24-16-4-2-1-3-14(15)16)5-7-19(8-6-18)17(22)20-9-11-23-12-10-20/h1-4H,5-13H2
InChIKeySHCKUFUZZGYHLL-UHFFFAOYSA-N
XLogP1.94
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
2-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoic acid
CID 7260656
1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260534
1'-(2-iodobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757554
N-cyclopentyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 46353341
1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734267
1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164700156
1'-(4-propan-2-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734251
2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)acetic acid
CID 164694844
diethoxymethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 154462590
2-(2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 44525327
N-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)formamide
CID 54242450

Frequently Asked Questions

What is the IUPAC name of 1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 126468398) is 1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)N3CCOCC3)CC2)Oc2ccccc21.
What is the InChIKey of 1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is SHCKUFUZZGYHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-15-13-18(24-16-4-2-1-3-14(15)16)5-7-19(8-6-18)17(22)20-9-11-23-12-10-20/h1-4H,5-13H2.
What are the key properties of 1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 330.38 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 126468398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).