3-(6-pyridin-4-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)propanal

C21H24N2O2 — CID 135124904

IUPAC3-(6-pyridin-4-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)propanal
SMILESO=CCCN1CCC2(CCc3cc(-c4ccncc4)ccc3O2)CC1
InChIInChI=1S/C21H24N2O2/c24-15-1-12-23-13-8-21(9-14-23)7-4-19-16-18(2-3-20(19)25-21)17-5-10-22-11-6-17/h2-3,5-6,10-11,15-16H,1,4,7-9,12-14H2
InChIKeyUVVVVHBUXUAMIW-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.50
Rot. Bonds4

About 3-(6-pyridin-4-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)propanal

3-(6-pyridin-4-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)propanal (PubChem CID 135124904) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(6-pyridin-4-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)propanal.

Molecular Properties

Compound Name3-(6-pyridin-4-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)propanal
PubChem CID135124904
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-(6-pyridin-4-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)propanal
SMILESO=CCCN1CCC2(CCc3cc(-c4ccncc4)ccc3O2)CC1
InChIInChI=1S/C21H24N2O2/c24-15-1-12-23-13-8-21(9-14-23)7-4-19-16-18(2-3-20(19)25-21)17-5-10-22-11-6-17/h2-3,5-6,10-11,15-16H,1,4,7-9,12-14H2
InChIKeyUVVVVHBUXUAMIW-UHFFFAOYSA-N
XLogP3.50
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[6-(8-methylquinolin-6-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]propanal
CID 135125829
6-[4-(methylsulfonylmethyl)phenyl]-1'-(pyridin-4-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 172843528
6-(1-methylisoquinolin-6-yl)-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 135125978
1'-propyl-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 135125977
2-(6-chlorospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046802
1'-(2,2-dimethylpropyl)-6-[4-(methylsulfonylmethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 172838421
6-[4-(benzylsulfonylmethyl)phenyl]-1'-(3,3,4,4,4-pentafluorobutyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 172714840
1'-benzyl-6-[4-(methylsulfonylmethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 172686393
1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 18700230
6-(1-methylbenzimidazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 135125440
6-[4-(benzylsulfonylmethyl)phenyl]-1'-tert-butylspiro[3,4-dihydrochromene-2,4'-piperidine]
CID 172738250
1'-tert-butyl-6-[4-[3-(3,3-difluoropyrrolidin-1-yl)propylsulfonylmethyl]phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 172727075

Frequently Asked Questions

What is the IUPAC name of 3-(6-pyridin-4-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)propanal?
The IUPAC name of 3-(6-pyridin-4-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)propanal (CID 135124904) is 3-(6-pyridin-4-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)propanal.
What is the SMILES notation for 3-(6-pyridin-4-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)propanal?
The canonical SMILES for 3-(6-pyridin-4-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)propanal is O=CCCN1CCC2(CCc3cc(-c4ccncc4)ccc3O2)CC1.
What is the InChIKey of 3-(6-pyridin-4-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)propanal?
The InChIKey is UVVVVHBUXUAMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-15-1-12-23-13-8-21(9-14-23)7-4-19-16-18(2-3-20(19)25-21)17-5-10-22-11-6-17/h2-3,5-6,10-11,15-16H,1,4,7-9,12-14H2.
What are the key properties of 3-(6-pyridin-4-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)propanal?
3-(6-pyridin-4-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)propanal has a molecular weight of 336.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-pyridin-4-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)propanal is sourced from PubChem (CID 135124904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).