4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide

C17H20FN5O2 — CID 122253401

IUPAC4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
SMILESCOc1nc(CNC(=O)c2ccc(F)cc2)nc(N2CCCCC2)n1
InChIInChI=1S/C17H20FN5O2/c1-25-17-21-14(20-16(22-17)23-9-3-2-4-10-23)11-19-15(24)12-5-7-13(18)8-6-12/h5-8H,2-4,9-11H2,1H3,(H,19,24)
InChIKeyBIJKFNMQUKUSKO-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.94
Rot. Bonds5

About 4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide

4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide (PubChem CID 122253401) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
PubChem CID122253401
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
SMILESCOc1nc(CNC(=O)c2ccc(F)cc2)nc(N2CCCCC2)n1
InChIInChI=1S/C17H20FN5O2/c1-25-17-21-14(20-16(22-17)23-9-3-2-4-10-23)11-19-15(24)12-5-7-13(18)8-6-12/h5-8H,2-4,9-11H2,1H3,(H,19,24)
InChIKeyBIJKFNMQUKUSKO-UHFFFAOYSA-N
XLogP1.94
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253116
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]furan-3-carboxamide
CID 122253553
3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253118
5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
CID 122253584
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 122253516
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]furan-2-carboxamide
CID 122253418
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122253100
3-cyano-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 121137658
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 122253515
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]quinoxaline-2-carboxamide
CID 122253252
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 122253828
4-ethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253693

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide (CID 122253401) is 4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide is COc1nc(CNC(=O)c2ccc(F)cc2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide?
The InChIKey is BIJKFNMQUKUSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-25-17-21-14(20-16(22-17)23-9-3-2-4-10-23)11-19-15(24)12-5-7-13(18)8-6-12/h5-8H,2-4,9-11H2,1H3,(H,19,24).
What are the key properties of 4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide?
4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide has a molecular weight of 345.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide is sourced from PubChem (CID 122253401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).