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

C18H22N2O3 — CID 69076705

IUPAC6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCNCC2)Oc2ccc(C(=O)N3CCCC3)cc21
InChIInChI=1S/C18H22N2O3/c21-15-12-18(5-7-19-8-6-18)23-16-4-3-13(11-14(15)16)17(22)20-9-1-2-10-20/h3-4,11,19H,1-2,5-10,12H2
InChIKeyBXVLWYLLLUSMOM-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.01
Rot. Bonds1

About 6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 69076705) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID69076705
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCNCC2)Oc2ccc(C(=O)N3CCCC3)cc21
InChIInChI=1S/C18H22N2O3/c21-15-12-18(5-7-19-8-6-18)23-16-4-3-13(11-14(15)16)17(22)20-9-1-2-10-20/h3-4,11,19H,1-2,5-10,12H2
InChIKeyBXVLWYLLLUSMOM-UHFFFAOYSA-N
XLogP2.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164700156
4-oxospiro[3H-chromene-2,4'-piperidine]-1',6-dicarboxylic acid
CID 66782544
6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663844
(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid
CID 68984003
6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663303
6-bromo-1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 100760349
1'-(1,3-benzodioxole-5-carbonyl)-6-bromospiro[3H-chromene-2,4'-piperidine]-4-one
CID 100760343
1'-benzoyl-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 125498789
1'-benzoyl-6-bromospiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770141
methyl-(4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl)carbamic acid;hydrochloride
CID 66781896
[4-(6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108735604
1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-7-hydroxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759580

Frequently Asked Questions

What is the IUPAC name of 6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 69076705) is 6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCNCC2)Oc2ccc(C(=O)N3CCCC3)cc21.
What is the InChIKey of 6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is BXVLWYLLLUSMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-15-12-18(5-7-19-8-6-18)23-16-4-3-13(11-14(15)16)17(22)20-9-1-2-10-20/h3-4,11,19H,1-2,5-10,12H2.
What are the key properties of 6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 314.38 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 69076705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).