1-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-3-pyridin-3-ylpropan-1-one

C25H30N2O4 — CID 110144088

IUPAC1-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-3-pyridin-3-ylpropan-1-one
SMILESCOc1cccc2c1OC1(CCN(C(=O)CCc3cccnc3)CC1)[C@H]1CCCO[C@H]21
InChIInChI=1S/C25H30N2O4/c1-29-21-8-2-6-19-23-20(7-4-16-30-23)25(31-24(19)21)11-14-27(15-12-25)22(28)10-9-18-5-3-13-26-17-18/h2-3,5-6,8,13,17,20,23H,4,7,9-12,14-16H2,1H3/t20-,23+/m0/s1
InChIKeyHWMQOPUCQJMSNP-NZQKXSOJSA-N
MW422.53 g/mol
LogP3.94
Rot. Bonds4

About 1-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-3-pyridin-3-ylpropan-1-one

1-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 110144088) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID110144088
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name1-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-3-pyridin-3-ylpropan-1-one
SMILESCOc1cccc2c1OC1(CCN(C(=O)CCc3cccnc3)CC1)[C@H]1CCCO[C@H]21
InChIInChI=1S/C25H30N2O4/c1-29-21-8-2-6-19-23-20(7-4-16-30-23)25(31-24(19)21)11-14-27(15-12-25)22(28)10-9-18-5-3-13-26-17-18/h2-3,5-6,8,13,17,20,23H,4,7,9-12,14-16H2,1H3/t20-,23+/m0/s1
InChIKeyHWMQOPUCQJMSNP-NZQKXSOJSA-N
XLogP3.94
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-3-pyridin-3-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-2-oxoethyl]methanesulfonamide
CID 110144108
1-[(4aS,10bS)-9-chlorospiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-2-pyridin-3-ylethanone
CID 110144053
1-(4-methoxy-4-methylazepan-1-yl)-3-pyridin-3-ylpropan-1-one
CID 136539071
[(4aS,10bS)-7-hydroxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-[3-(methoxymethyl)phenyl]methanone
CID 110144140
1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-pyridin-3-ylpropan-1-one
CID 70772789
1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 115304597
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 110156983
1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175657779
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 115276545
1-[3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-3-pyridin-3-ylpropan-1-one
CID 134073965
1-[4-hydroxy-4-(phenoxymethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 155990905
(5R)-7-(cyclopropylmethyl)-2-(3-pyridin-3-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97156301

Frequently Asked Questions

What is the IUPAC name of 1-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-3-pyridin-3-ylpropan-1-one (CID 110144088) is 1-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-3-pyridin-3-ylpropan-1-one is COc1cccc2c1OC1(CCN(C(=O)CCc3cccnc3)CC1)[C@H]1CCCO[C@H]21.
What is the InChIKey of 1-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is HWMQOPUCQJMSNP-NZQKXSOJSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-29-21-8-2-6-19-23-20(7-4-16-30-23)25(31-24(19)21)11-14-27(15-12-25)22(28)10-9-18-5-3-13-26-17-18/h2-3,5-6,8,13,17,20,23H,4,7,9-12,14-16H2,1H3/t20-,23+/m0/s1.
What are the key properties of 1-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-3-pyridin-3-ylpropan-1-one?
1-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 422.53 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4aS,10bS)-7-methoxyspiro[3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-5,4'-piperidine]-1'-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 110144088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).