1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone

C24H28N2O4 — CID 46568763

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCCC(C(=O)N2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C24H28N2O4/c27-22(25-13-10-24(11-14-25)29-15-16-30-24)19-7-4-12-26(17-19)23(28)21-9-3-6-18-5-1-2-8-20(18)21/h1-3,5-6,8-9,19H,4,7,10-17H2
InChIKeyVPUWKUOCJLDAKQ-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.06
Rot. Bonds2

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone (PubChem CID 46568763) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone
PubChem CID46568763
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCCC(C(=O)N2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C24H28N2O4/c27-22(25-13-10-24(11-14-25)29-15-16-30-24)19-7-4-12-26(17-19)23(28)21-9-3-6-18-5-1-2-8-20(18)21/h1-3,5-6,8-9,19H,4,7,10-17H2
InChIKeyVPUWKUOCJLDAKQ-UHFFFAOYSA-N
XLogP3.06
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 51239998
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 4684165
phenyl 4-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 154858593
[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 51927556
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 92668617
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone
CID 38373556
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 95728859
N-(3-methoxypropyl)-1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 55953689
morpholin-4-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 17400895

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone (CID 46568763) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone is O=C(c1cccc2ccccc12)N1CCCC(C(=O)N2CCC3(CC2)OCCO3)C1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone?
The InChIKey is VPUWKUOCJLDAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c27-22(25-13-10-24(11-14-25)29-15-16-30-24)19-7-4-12-26(17-19)23(28)21-9-3-6-18-5-1-2-8-20(18)21/h1-3,5-6,8-9,19H,4,7,10-17H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone has a molecular weight of 408.50 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 46568763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).