N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide

C27H32FN3O3 — CID 93199610

IUPACN-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C27H32FN3O3/c1-19-8-10-21(11-9-19)25(32)29-24(27(34)30-14-3-2-4-15-30)20-12-16-31(17-13-20)26(33)22-6-5-7-23(28)18-22/h5-11,18,20,24H,2-4,12-17H2,1H3,(H,29,32)/t24-/m0/s1
InChIKeyWWDXJSWJPDXNKX-DEOSSOPVSA-N
MW465.57 g/mol
LogP3.80
Rot. Bonds5

About N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide

N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide (PubChem CID 93199610) has the molecular formula C27H32FN3O3 and a molecular weight of 465.57 g/mol. Its IUPAC name is N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide
PubChem CID93199610
Molecular FormulaC27H32FN3O3
Molecular Weight465.57 g/mol
Exact Mass465.24
IUPAC NameN-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C27H32FN3O3/c1-19-8-10-21(11-9-19)25(32)29-24(27(34)30-14-3-2-4-15-30)20-12-16-31(17-13-20)26(33)22-6-5-7-23(28)18-22/h5-11,18,20,24H,2-4,12-17H2,1H3,(H,29,32)/t24-/m0/s1
InChIKeyWWDXJSWJPDXNKX-DEOSSOPVSA-N
XLogP3.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 46020400
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 93199975
N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93182939
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 46019879
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide
CID 93199679
3-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 46020036
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93199232
N-[2-(cyclopropylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 46019160
N-[2-(butan-2-ylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 46019147
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93196657
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93196660
2-methyl-N-[(1S)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]benzamide
CID 93198018

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide?
The IUPAC name of N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide (CID 93199610) is N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide.
What is the SMILES notation for N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide?
The canonical SMILES for N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@H](C(=O)N2CCCCC2)C2CCN(C(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide?
The InChIKey is WWDXJSWJPDXNKX-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H32FN3O3/c1-19-8-10-21(11-9-19)25(32)29-24(27(34)30-14-3-2-4-15-30)20-12-16-31(17-13-20)26(33)22-6-5-7-23(28)18-22/h5-11,18,20,24H,2-4,12-17H2,1H3,(H,29,32)/t24-/m0/s1.
What are the key properties of N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide?
N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide has a molecular weight of 465.57 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide is sourced from PubChem (CID 93199610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).