1-(4-fluorobenzoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide

C24H25FN2O4 — CID 55462008

IUPAC1-(4-fluorobenzoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C24H25FN2O4/c25-18-7-5-16(6-8-18)23(29)27-13-3-4-17(15-27)22(28)26-19-9-10-20-21(14-19)31-24(30-20)11-1-2-12-24/h5-10,14,17H,1-4,11-13,15H2,(H,26,28)
InChIKeyCWXSWQGBYZYVNI-UHFFFAOYSA-N
MW424.47 g/mol
LogP4.36
Rot. Bonds3

About 1-(4-fluorobenzoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide

1-(4-fluorobenzoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide (PubChem CID 55462008) has the molecular formula C24H25FN2O4 and a molecular weight of 424.47 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide
PubChem CID55462008
Molecular FormulaC24H25FN2O4
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name1-(4-fluorobenzoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C24H25FN2O4/c25-18-7-5-16(6-8-18)23(29)27-13-3-4-17(15-27)22(28)26-19-9-10-20-21(14-19)31-24(30-20)11-1-2-12-24/h5-10,14,17H,1-4,11-13,15H2,(H,26,28)
InChIKeyCWXSWQGBYZYVNI-UHFFFAOYSA-N
XLogP4.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46449131
N-(2H-benzotriazol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 166220457
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18267750
N-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51271965
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
(3S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25394612
1-propylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide
CID 55647241
(3S)-N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51562316
N-(6-amino-1,3-benzodioxol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119617969
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
(3S)-N-(2-tert-butylpyrimidin-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 95233341

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide (CID 55462008) is 1-(4-fluorobenzoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide is O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide?
The InChIKey is CWXSWQGBYZYVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4/c25-18-7-5-16(6-8-18)23(29)27-13-3-4-17(15-27)22(28)26-19-9-10-20-21(14-19)31-24(30-20)11-1-2-12-24/h5-10,14,17H,1-4,11-13,15H2,(H,26,28).
What are the key properties of 1-(4-fluorobenzoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide?
1-(4-fluorobenzoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide has a molecular weight of 424.47 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide is sourced from PubChem (CID 55462008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).