N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-4-fluoro-2-hydroxybenzamide

C22H30FN3O4 — CID 146039284

IUPACN-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-4-fluoro-2-hydroxybenzamide
SMILESO=C(NCC1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccc(F)cc1O
InChIInChI=1S/C22H30FN3O4/c23-17-3-4-19(20(27)9-17)22(29)24-10-18-13-26(21(28)14-30-18)12-16-5-7-25(8-6-16)11-15-1-2-15/h3-4,9,15-16,18,27H,1-2,5-8,10-14H2,(H,24,29)
InChIKeyXXMIFYQRGOIOOW-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.61
Rot. Bonds7

About N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-4-fluoro-2-hydroxybenzamide

N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-4-fluoro-2-hydroxybenzamide (PubChem CID 146039284) has the molecular formula C22H30FN3O4 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-4-fluoro-2-hydroxybenzamide
PubChem CID146039284
Molecular FormulaC22H30FN3O4
Molecular Weight419.50 g/mol
Exact Mass419.22
IUPAC NameN-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-4-fluoro-2-hydroxybenzamide
SMILESO=C(NCC1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccc(F)cc1O
InChIInChI=1S/C22H30FN3O4/c23-17-3-4-19(20(27)9-17)22(29)24-10-18-13-26(21(28)14-30-18)12-16-5-7-25(8-6-16)11-15-1-2-15/h3-4,9,15-16,18,27H,1-2,5-8,10-14H2,(H,24,29)
InChIKeyXXMIFYQRGOIOOW-UHFFFAOYSA-N
XLogP1.61
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-4-fluoro-2-hydroxybenzamide with MolForge

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Related Compounds

N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(2-hydroxyphenyl)acetamide
CID 154568227
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 125166643
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 125161789
N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 118763419
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 125165829
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 125159273
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 125180018
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 125165420
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 125163888
N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-1H-imidazole-2-carboxamide
CID 118785493
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 125162074
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 125163956

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-4-fluoro-2-hydroxybenzamide (CID 146039284) is N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-4-fluoro-2-hydroxybenzamide is O=C(NCC1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1ccc(F)cc1O.
What is the InChIKey of N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-4-fluoro-2-hydroxybenzamide?
The InChIKey is XXMIFYQRGOIOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O4/c23-17-3-4-19(20(27)9-17)22(29)24-10-18-13-26(21(28)14-30-18)12-16-5-7-25(8-6-16)11-15-1-2-15/h3-4,9,15-16,18,27H,1-2,5-8,10-14H2,(H,24,29).
What are the key properties of N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-4-fluoro-2-hydroxybenzamide?
N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-4-fluoro-2-hydroxybenzamide has a molecular weight of 419.50 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 146039284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).