N-[1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-4-fluorobenzamide

C25H27BrFN3O4 — CID 46015981

IUPACN-[1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(NC(C(=O)N1CCOCC1)C1CCN(C(=O)c2cccc(Br)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H27BrFN3O4/c26-20-3-1-2-19(16-20)24(32)29-10-8-17(9-11-29)22(25(33)30-12-14-34-15-13-30)28-23(31)18-4-6-21(27)7-5-18/h1-7,16-17,22H,8-15H2,(H,28,31)
InChIKeyQDCIAYBIQHSXLV-UHFFFAOYSA-N
MW532.41 g/mol
LogP3.10
Rot. Bonds5

About N-[1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-4-fluorobenzamide

N-[1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-4-fluorobenzamide (PubChem CID 46015981) has the molecular formula C25H27BrFN3O4 and a molecular weight of 532.41 g/mol. Its IUPAC name is N-[1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-4-fluorobenzamide
PubChem CID46015981
Molecular FormulaC25H27BrFN3O4
Molecular Weight532.41 g/mol
Exact Mass531.12
IUPAC NameN-[1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-4-fluorobenzamide
SMILESO=C(NC(C(=O)N1CCOCC1)C1CCN(C(=O)c2cccc(Br)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C25H27BrFN3O4/c26-20-3-1-2-19(16-20)24(32)29-10-8-17(9-11-29)22(25(33)30-12-14-34-15-13-30)28-23(31)18-4-6-21(27)7-5-18/h1-7,16-17,22H,8-15H2,(H,28,31)
InChIKeyQDCIAYBIQHSXLV-UHFFFAOYSA-N
XLogP3.10
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]benzamide
CID 46016050
N-[2-morpholin-4-yl-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 46016035
4-fluoro-N-[(1R)-2-morpholin-4-yl-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]benzamide
CID 93182730
N-[2-(cyclopropylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 46019160
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 93199975
N-[(1R)-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-3-methylbenzamide
CID 93199115
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 46020400
N-[(1S)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 93199610
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 46019879
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-4-fluorobenzamide (CID 46015981) is N-[1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-4-fluorobenzamide is O=C(NC(C(=O)N1CCOCC1)C1CCN(C(=O)c2cccc(Br)c2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is QDCIAYBIQHSXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrFN3O4/c26-20-3-1-2-19(16-20)24(32)29-10-8-17(9-11-29)22(25(33)30-12-14-34-15-13-30)28-23(31)18-4-6-21(27)7-5-18/h1-7,16-17,22H,8-15H2,(H,28,31).
What are the key properties of N-[1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-4-fluorobenzamide?
N-[1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 532.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-morpholin-4-yl-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 46015981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).