N-(2-fluoro-5-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide

C21H25FN2O4 — CID 110362244

IUPACN-(2-fluoro-5-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(N3CCCCC3)ccc2F)cc(OC)c1OC
InChIInChI=1S/C21H25FN2O4/c1-26-18-11-14(12-19(27-2)20(18)28-3)21(25)23-17-13-15(7-8-16(17)22)24-9-5-4-6-10-24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,23,25)
InChIKeyNZVKDUSUUIEGSG-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.09
Rot. Bonds6

About N-(2-fluoro-5-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide

N-(2-fluoro-5-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide (PubChem CID 110362244) has the molecular formula C21H25FN2O4 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-(2-fluoro-5-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2-fluoro-5-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
PubChem CID110362244
Molecular FormulaC21H25FN2O4
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC NameN-(2-fluoro-5-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(N3CCCCC3)ccc2F)cc(OC)c1OC
InChIInChI=1S/C21H25FN2O4/c1-26-18-11-14(12-19(27-2)20(18)28-3)21(25)23-17-13-15(7-8-16(17)22)24-9-5-4-6-10-24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,23,25)
InChIKeyNZVKDUSUUIEGSG-UHFFFAOYSA-N
XLogP4.09
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-3,4-dimethoxybenzamide
CID 110361803
3,4,5-trimethoxy-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110361706
N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 2569806
3,5-dimethoxy-N-(2-methoxy-5-piperidin-1-ylphenyl)benzamide
CID 110359680
N-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 17027234
N-(2-fluoro-5-piperidin-1-ylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 110362257
3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide
CID 110362463
N-(2-fluoro-5-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110362254
N-(2-fluoro-5-piperidin-1-ylphenyl)propanamide
CID 110362225
N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxybenzamide
CID 110362600
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 110361821
3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42039924

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(2-fluoro-5-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide (CID 110362244) is N-(2-fluoro-5-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(2-fluoro-5-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(2-fluoro-5-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cc(N3CCCCC3)ccc2F)cc(OC)c1OC.
What is the InChIKey of N-(2-fluoro-5-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is NZVKDUSUUIEGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4/c1-26-18-11-14(12-19(27-2)20(18)28-3)21(25)23-17-13-15(7-8-16(17)22)24-9-5-4-6-10-24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,23,25).
What are the key properties of N-(2-fluoro-5-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide?
N-(2-fluoro-5-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide has a molecular weight of 388.44 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 110362244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).