4-(4-fluorobenzoyl)-N,8-dimethyl-N-(1-methylpiperidin-4-yl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C24H34FN3O3 — CID 46110668

IUPAC4-(4-fluorobenzoyl)-N,8-dimethyl-N-(1-methylpiperidin-4-yl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCC1CCC2(CC1)OCC(C(=O)N(C)C1CCN(C)CC1)N2C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H34FN3O3/c1-17-8-12-24(13-9-17)28(22(29)18-4-6-19(25)7-5-18)21(16-31-24)23(30)27(3)20-10-14-26(2)15-11-20/h4-7,17,20-21H,8-16H2,1-3H3
InChIKeyQLPCBLWXQZZIOW-UHFFFAOYSA-N
MW431.55 g/mol
LogP3.13
Rot. Bonds3

About 4-(4-fluorobenzoyl)-N,8-dimethyl-N-(1-methylpiperidin-4-yl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

4-(4-fluorobenzoyl)-N,8-dimethyl-N-(1-methylpiperidin-4-yl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 46110668) has the molecular formula C24H34FN3O3 and a molecular weight of 431.55 g/mol. Its IUPAC name is 4-(4-fluorobenzoyl)-N,8-dimethyl-N-(1-methylpiperidin-4-yl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name4-(4-fluorobenzoyl)-N,8-dimethyl-N-(1-methylpiperidin-4-yl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID46110668
Molecular FormulaC24H34FN3O3
Molecular Weight431.55 g/mol
Exact Mass431.26
IUPAC Name4-(4-fluorobenzoyl)-N,8-dimethyl-N-(1-methylpiperidin-4-yl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCC1CCC2(CC1)OCC(C(=O)N(C)C1CCN(C)CC1)N2C(=O)c1ccc(F)cc1
InChIInChI=1S/C24H34FN3O3/c1-17-8-12-24(13-9-17)28(22(29)18-4-6-19(25)7-5-18)21(16-31-24)23(30)27(3)20-10-14-26(2)15-11-20/h4-7,17,20-21H,8-16H2,1-3H3
InChIKeyQLPCBLWXQZZIOW-UHFFFAOYSA-N
XLogP3.13
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.55
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorobenzoyl)-N,8-dimethyl-N-(1-methylpiperidin-4-yl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide with MolForge

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Related Compounds

N-tert-butyl-4-(4-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 46110649
N-ethyl-4,8-bis(4-fluorobenzoyl)-N-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42820767
[(3S)-4-(4-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decan-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 93019040
(3S)-4-benzoyl-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657837
(3R)-4-(3,5-difluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657947
4-(2-fluorobenzoyl)-8-methyl-N,N-dipropyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 46110816
(3S)-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658043
(3S)-N-[(2R)-butan-2-yl]-4-(3-fluorobenzoyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 93144489
(3R)-4-(3,5-difluorobenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658098
4-(3,5-difluorobenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 75360373
[8-(1,3-benzodioxole-5-carbonyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 42820824
4-(3-fluorobenzoyl)-8-methyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71955974

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorobenzoyl)-N,8-dimethyl-N-(1-methylpiperidin-4-yl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 4-(4-fluorobenzoyl)-N,8-dimethyl-N-(1-methylpiperidin-4-yl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 46110668) is 4-(4-fluorobenzoyl)-N,8-dimethyl-N-(1-methylpiperidin-4-yl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 4-(4-fluorobenzoyl)-N,8-dimethyl-N-(1-methylpiperidin-4-yl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 4-(4-fluorobenzoyl)-N,8-dimethyl-N-(1-methylpiperidin-4-yl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is CC1CCC2(CC1)OCC(C(=O)N(C)C1CCN(C)CC1)N2C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorobenzoyl)-N,8-dimethyl-N-(1-methylpiperidin-4-yl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is QLPCBLWXQZZIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FN3O3/c1-17-8-12-24(13-9-17)28(22(29)18-4-6-19(25)7-5-18)21(16-31-24)23(30)27(3)20-10-14-26(2)15-11-20/h4-7,17,20-21H,8-16H2,1-3H3.
What are the key properties of 4-(4-fluorobenzoyl)-N,8-dimethyl-N-(1-methylpiperidin-4-yl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
4-(4-fluorobenzoyl)-N,8-dimethyl-N-(1-methylpiperidin-4-yl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 431.55 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorobenzoyl)-N,8-dimethyl-N-(1-methylpiperidin-4-yl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 46110668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).