[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone

C29H33N3O4 — CID 142581319

IUPAC[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESCOc1ccc2ncc(C(=O)N3CCC(c4ccccc4)CC3)c(N3CCC4(CC3)OCCO4)c2c1
InChIInChI=1S/C29H33N3O4/c1-34-23-7-8-26-24(19-23)27(31-15-11-29(12-16-31)35-17-18-36-29)25(20-30-26)28(33)32-13-9-22(10-14-32)21-5-3-2-4-6-21/h2-8,19-20,22H,9-18H2,1H3
InChIKeyZJRIDAXJRITCSA-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.61
Rot. Bonds4

About [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone

[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 142581319) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID142581319
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC Name[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESCOc1ccc2ncc(C(=O)N3CCC(c4ccccc4)CC3)c(N3CCC4(CC3)OCCO4)c2c1
InChIInChI=1S/C29H33N3O4/c1-34-23-7-8-26-24(19-23)27(31-15-11-29(12-16-31)35-17-18-36-29)25(20-30-26)28(33)32-13-9-22(10-14-32)21-5-3-2-4-6-21/h2-8,19-20,22H,9-18H2,1H3
InChIKeyZJRIDAXJRITCSA-UHFFFAOYSA-N
XLogP4.61
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone 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

[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 142581437
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-methoxyquinolin-3-yl]-(4-methylsulfinylpiperazin-1-yl)methanone
CID 142581360
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbaldehyde
CID 142581527
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 142581622
cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581331
cyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581314
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-hydroxyquinolin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 142581476
4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-dimethoxyquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 142581585
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxyquinoline-3-carboxylic acid
CID 7137791
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-difluoroquinolin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 142581550
[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 42750008
[6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825152

Frequently Asked Questions

What is the IUPAC name of [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone (CID 142581319) is [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone is COc1ccc2ncc(C(=O)N3CCC(c4ccccc4)CC3)c(N3CCC4(CC3)OCCO4)c2c1.
What is the InChIKey of [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is ZJRIDAXJRITCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4/c1-34-23-7-8-26-24(19-23)27(31-15-11-29(12-16-31)35-17-18-36-29)25(20-30-26)28(33)32-13-9-22(10-14-32)21-5-3-2-4-6-21/h2-8,19-20,22H,9-18H2,1H3.
What are the key properties of [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone?
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 487.60 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 142581319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).