N-(5-bromo-2-pyridinyl)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperidine-4-carboxamide

C21H21BrN4O4 — CID 55932031

IUPACN-(5-bromo-2-pyridinyl)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperidine-4-carboxamide
SMILESCC(C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1)n1c(=O)oc2ccccc21
InChIInChI=1S/C21H21BrN4O4/c1-13(26-16-4-2-3-5-17(16)30-21(26)29)20(28)25-10-8-14(9-11-25)19(27)24-18-7-6-15(22)12-23-18/h2-7,12-14H,8-11H2,1H3,(H,23,24,27)
InChIKeyGTWVBOQJSCNBCO-UHFFFAOYSA-N
MW473.33 g/mol
LogP3.19
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperidine-4-carboxamide (PubChem CID 55932031) has the molecular formula C21H21BrN4O4 and a molecular weight of 473.33 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperidine-4-carboxamide
PubChem CID55932031
Molecular FormulaC21H21BrN4O4
Molecular Weight473.33 g/mol
Exact Mass472.07
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperidine-4-carboxamide
SMILESCC(C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1)n1c(=O)oc2ccccc21
InChIInChI=1S/C21H21BrN4O4/c1-13(26-16-4-2-3-5-17(16)30-21(26)29)20(28)25-10-8-14(9-11-25)19(27)24-18-7-6-15(22)12-23-18/h2-7,12-14H,8-11H2,1H3,(H,23,24,27)
InChIKeyGTWVBOQJSCNBCO-UHFFFAOYSA-N
XLogP3.19
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one
CID 42898184
N-(5-bromo-2-pyridinyl)-1-(2-butoxypropanoyl)piperidine-4-carboxamide
CID 48678587
N-(5-bromo-2-pyridinyl)-1-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperidine-4-carboxamide
CID 51961356
3-[(2R)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 95977734
N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide
CID 55931903
N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 55932163
N-(5-bromo-2-pyridinyl)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide
CID 55813629
N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 55815564
1-(2-methylpropanoyl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide
CID 33448100
N-(5-bromo-2-pyridinyl)-1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 55932291
1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856436
N-(5-bromo-2-pyridinyl)-1-(3-methylbutylsulfonyl)piperidine-4-carboxamide
CID 56549938

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperidine-4-carboxamide (CID 55932031) is N-(5-bromo-2-pyridinyl)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperidine-4-carboxamide is CC(C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1)n1c(=O)oc2ccccc21.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperidine-4-carboxamide?
The InChIKey is GTWVBOQJSCNBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4O4/c1-13(26-16-4-2-3-5-17(16)30-21(26)29)20(28)25-10-8-14(9-11-25)19(27)24-18-7-6-15(22)12-23-18/h2-7,12-14H,8-11H2,1H3,(H,23,24,27).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperidine-4-carboxamide has a molecular weight of 473.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55932031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).