1'-(oxolan-3-yl)-2-(pyridin-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]

C23H29N3O — CID 134079354

IUPAC1'-(oxolan-3-yl)-2-(pyridin-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]
SMILESc1cncc(CN2Cc3ccccc3C3(CCN(C4CCOC4)CC3)C2)c1
InChIInChI=1S/C23H29N3O/c1-2-6-22-20(5-1)16-25(15-19-4-3-10-24-14-19)18-23(22)8-11-26(12-9-23)21-7-13-27-17-21/h1-6,10,14,21H,7-9,11-13,15-18H2
InChIKeyWLOGUOPZXZPBTK-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.22
Rot. Bonds3

About 1'-(oxolan-3-yl)-2-(pyridin-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]

1'-(oxolan-3-yl)-2-(pyridin-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine] (PubChem CID 134079354) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 1'-(oxolan-3-yl)-2-(pyridin-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine].

Molecular Properties

Compound Name1'-(oxolan-3-yl)-2-(pyridin-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]
PubChem CID134079354
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name1'-(oxolan-3-yl)-2-(pyridin-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]
SMILESc1cncc(CN2Cc3ccccc3C3(CCN(C4CCOC4)CC3)C2)c1
InChIInChI=1S/C23H29N3O/c1-2-6-22-20(5-1)16-25(15-19-4-3-10-24-14-19)18-23(22)8-11-26(12-9-23)21-7-13-27-17-21/h1-6,10,14,21H,7-9,11-13,15-18H2
InChIKeyWLOGUOPZXZPBTK-UHFFFAOYSA-N
XLogP3.22
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-9-[(3R)-oxolan-3-yl]-4-(pyridin-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495779
1'-(oxolan-3-yl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]
CID 118738931
1-[9-[(3S)-oxolan-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-3-ylethanone
CID 97450931
1'-methyl-2-(oxolan-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]
CID 134079358
1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
CID 98776791
4-(oxan-4-yl)-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97469034
(2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine
CID 756436
(5R)-9-[(3R)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 124521986
(5S)-9-[(3S)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 98778255
(7R)-7-(morpholin-4-ylmethyl)-2-(pyridin-3-ylmethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124911975
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
10-(oxan-4-yl)-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane;tris(2,2,2-trifluoroacetic acid)
CID 118747233

Frequently Asked Questions

What is the IUPAC name of 1'-(oxolan-3-yl)-2-(pyridin-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]?
The IUPAC name of 1'-(oxolan-3-yl)-2-(pyridin-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine] (CID 134079354) is 1'-(oxolan-3-yl)-2-(pyridin-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine].
What is the SMILES notation for 1'-(oxolan-3-yl)-2-(pyridin-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]?
The canonical SMILES for 1'-(oxolan-3-yl)-2-(pyridin-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine] is c1cncc(CN2Cc3ccccc3C3(CCN(C4CCOC4)CC3)C2)c1.
What is the InChIKey of 1'-(oxolan-3-yl)-2-(pyridin-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]?
The InChIKey is WLOGUOPZXZPBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-2-6-22-20(5-1)16-25(15-19-4-3-10-24-14-19)18-23(22)8-11-26(12-9-23)21-7-13-27-17-21/h1-6,10,14,21H,7-9,11-13,15-18H2.
What are the key properties of 1'-(oxolan-3-yl)-2-(pyridin-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]?
1'-(oxolan-3-yl)-2-(pyridin-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine] has a molecular weight of 363.51 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(oxolan-3-yl)-2-(pyridin-3-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine] is sourced from PubChem (CID 134079354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).