(1-benzoylpiperidin-2-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone

C23H30N2O3 — CID 135110610

IUPAC(1-benzoylpiperidin-2-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
SMILESCC1=CC2(CCN(C(=O)C3CCCCN3C(=O)c3ccccc3)CC2)OCC1
InChIInChI=1S/C23H30N2O3/c1-18-10-16-28-23(17-18)11-14-24(15-12-23)22(27)20-9-5-6-13-25(20)21(26)19-7-3-2-4-8-19/h2-4,7-8,17,20H,5-6,9-16H2,1H3
InChIKeyZGRGWGDSFFYKLV-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.41
Rot. Bonds2

About (1-benzoylpiperidin-2-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone

(1-benzoylpiperidin-2-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone (PubChem CID 135110610) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is (1-benzoylpiperidin-2-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone.

Molecular Properties

Compound Name(1-benzoylpiperidin-2-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
PubChem CID135110610
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name(1-benzoylpiperidin-2-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone
SMILESCC1=CC2(CCN(C(=O)C3CCCCN3C(=O)c3ccccc3)CC2)OCC1
InChIInChI=1S/C23H30N2O3/c1-18-10-16-28-23(17-18)11-14-24(15-12-23)22(27)20-9-5-6-13-25(20)21(26)19-7-3-2-4-8-19/h2-4,7-8,17,20H,5-6,9-16H2,1H3
InChIKeyZGRGWGDSFFYKLV-UHFFFAOYSA-N
XLogP3.41
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 135091721
[(2R)-1-benzoylpiperidin-2-yl]-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 124758497
2-methyl-6-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 135111321
(3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone
CID 119380930
[(2S)-1-benzoylpyrrolidin-2-yl]-[(2R)-2-(difluoromethyl)morpholin-4-yl]methanone
CID 124627096
[(2R)-1-benzoylpyrrolidin-2-yl]-[(2R)-2-(difluoromethyl)morpholin-4-yl]methanone
CID 124627095
[1-(furan-3-carbonyl)piperidin-2-yl]-morpholin-4-ylmethanone
CID 4089666
(E)-1-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]-3-phenylbut-2-en-1-one
CID 110305890
(4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 119032862
[1-[4-(methoxymethyl)benzoyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 136522845
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 163306529
[1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357637

Frequently Asked Questions

What is the IUPAC name of (1-benzoylpiperidin-2-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone?
The IUPAC name of (1-benzoylpiperidin-2-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone (CID 135110610) is (1-benzoylpiperidin-2-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone.
What is the SMILES notation for (1-benzoylpiperidin-2-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone?
The canonical SMILES for (1-benzoylpiperidin-2-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone is CC1=CC2(CCN(C(=O)C3CCCCN3C(=O)c3ccccc3)CC2)OCC1.
What is the InChIKey of (1-benzoylpiperidin-2-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone?
The InChIKey is ZGRGWGDSFFYKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-18-10-16-28-23(17-18)11-14-24(15-12-23)22(27)20-9-5-6-13-25(20)21(26)19-7-3-2-4-8-19/h2-4,7-8,17,20H,5-6,9-16H2,1H3.
What are the key properties of (1-benzoylpiperidin-2-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone?
(1-benzoylpiperidin-2-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone has a molecular weight of 382.50 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoylpiperidin-2-yl)-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)methanone is sourced from PubChem (CID 135110610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).