6'-[2-[2-(diethylamino)ethyl]piperidine-1-carbonyl]spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one

C26H36N2O3 — CID 110213769

IUPAC6'-[2-[2-(diethylamino)ethyl]piperidine-1-carbonyl]spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one
SMILESCCN(CC)CCC1CCCCN1C(=O)C1C2CCC3(CC(=O)c4ccccc4O3)C21
InChIInChI=1S/C26H36N2O3/c1-3-27(4-2)16-13-18-9-7-8-15-28(18)25(30)23-20-12-14-26(24(20)23)17-21(29)19-10-5-6-11-22(19)31-26/h5-6,10-11,18,20,23-24H,3-4,7-9,12-17H2,1-2H3
InChIKeyPSECRYQGKNGOGU-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.16
Rot. Bonds6

About 6'-[2-[2-(diethylamino)ethyl]piperidine-1-carbonyl]spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one

6'-[2-[2-(diethylamino)ethyl]piperidine-1-carbonyl]spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one (PubChem CID 110213769) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is 6'-[2-[2-(diethylamino)ethyl]piperidine-1-carbonyl]spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one.

Molecular Properties

Compound Name6'-[2-[2-(diethylamino)ethyl]piperidine-1-carbonyl]spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one
PubChem CID110213769
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC Name6'-[2-[2-(diethylamino)ethyl]piperidine-1-carbonyl]spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one
SMILESCCN(CC)CCC1CCCCN1C(=O)C1C2CCC3(CC(=O)c4ccccc4O3)C21
InChIInChI=1S/C26H36N2O3/c1-3-27(4-2)16-13-18-9-7-8-15-28(18)25(30)23-20-12-14-26(24(20)23)17-21(29)19-10-5-6-11-22(19)31-26/h5-6,10-11,18,20,23-24H,3-4,7-9,12-17H2,1-2H3
InChIKeyPSECRYQGKNGOGU-UHFFFAOYSA-N
XLogP4.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1'S,2S,5'R,6'R)-6'-[(3R)-3-methylpiperidine-1-carbonyl]spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one
CID 124913708
ethyl (1'S,2S,5'R,6'R)-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxylate
CID 124824195
(1'R,2S,5'S,6'S)-6'-[(3S)-3-hydroxypiperidine-1-carbonyl]spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one
CID 124791528
(1'S,2R,5'R,6'R)-4-oxo-N-propan-2-ylspiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
CID 92580086
(1'R,2S,5'R,6'R)-N-cyclopentyl-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
CID 98059258
(1'R,2R,5'R,6'R)-6-methyl-6'-(pyrrolidine-1-carbonyl)spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one
CID 98059600
(1'R,2R,5'R,6'R)-4-oxo-N-[(1S)-1-phenylethyl]spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
CID 124824885
N-(2-amino-2-oxoethyl)-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
CID 110213736
(1'S,2S,5'R,6'R)-N-(2-methoxyethyl)-4-oxospiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-6'-carboxamide
CID 124790590
(1'S,2S,5'S,6'R)-6-methyl-6'-(morpholine-4-carbonyl)spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one
CID 124827185
(1'R,2R,5'R,6'R)-6-methyl-6'-(morpholine-4-carbonyl)spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one
CID 98059717
(1'S,2S,5'S,6'S)-6-methyl-6'-(morpholine-4-carbonyl)spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one
CID 124827184

Frequently Asked Questions

What is the IUPAC name of 6'-[2-[2-(diethylamino)ethyl]piperidine-1-carbonyl]spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one?
The IUPAC name of 6'-[2-[2-(diethylamino)ethyl]piperidine-1-carbonyl]spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one (CID 110213769) is 6'-[2-[2-(diethylamino)ethyl]piperidine-1-carbonyl]spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one.
What is the SMILES notation for 6'-[2-[2-(diethylamino)ethyl]piperidine-1-carbonyl]spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one?
The canonical SMILES for 6'-[2-[2-(diethylamino)ethyl]piperidine-1-carbonyl]spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one is CCN(CC)CCC1CCCCN1C(=O)C1C2CCC3(CC(=O)c4ccccc4O3)C21.
What is the InChIKey of 6'-[2-[2-(diethylamino)ethyl]piperidine-1-carbonyl]spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one?
The InChIKey is PSECRYQGKNGOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-3-27(4-2)16-13-18-9-7-8-15-28(18)25(30)23-20-12-14-26(24(20)23)17-21(29)19-10-5-6-11-22(19)31-26/h5-6,10-11,18,20,23-24H,3-4,7-9,12-17H2,1-2H3.
What are the key properties of 6'-[2-[2-(diethylamino)ethyl]piperidine-1-carbonyl]spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one?
6'-[2-[2-(diethylamino)ethyl]piperidine-1-carbonyl]spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one has a molecular weight of 424.59 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-[2-[2-(diethylamino)ethyl]piperidine-1-carbonyl]spiro[3H-chromene-2,2'-bicyclo[3.1.0]hexane]-4-one is sourced from PubChem (CID 110213769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).