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

C21H25FN2O4 — CID 17027234

IUPACN-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C21H25FN2O4/c1-26-18-11-14(12-19(27-2)20(18)28-3)21(25)23-15-7-8-17(16(22)13-15)24-9-5-4-6-10-24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,23,25)
InChIKeyWRMSCESQAQZSSH-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.09
Rot. Bonds6

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

N-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide (PubChem CID 17027234) has the molecular formula C21H25FN2O4 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
PubChem CID17027234
Molecular FormulaC21H25FN2O4
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC NameN-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc(OC)c1OC
InChIInChI=1S/C21H25FN2O4/c1-26-18-11-14(12-19(27-2)20(18)28-3)21(25)23-15-7-8-17(16(22)13-15)24-9-5-4-6-10-24/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,23,25)
InChIKeyWRMSCESQAQZSSH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 2569806
4-bromo-N-(3-fluoro-4-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
CID 56500087
methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate
CID 90707355
N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 47059878
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
N-(2-fluoro-5-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 110362244
3,4,5-trimethoxy-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4850008
4-butan-2-yloxy-N-(3-fluoro-4-piperidin-1-ylphenyl)benzamide
CID 17091477
N-[3-chloro-4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-3,4,5-trimethoxybenzamide
CID 17050417
3,4,5-trimethoxy-N-(1-methyl-2,3-dihydroindol-6-yl)benzamide
CID 110729223
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
3,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)-5-[(E)-prop-1-enyl]benzamide
CID 16606497

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide (CID 17027234) is N-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc(OC)c1OC.
What is the InChIKey of N-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is WRMSCESQAQZSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4/c1-26-18-11-14(12-19(27-2)20(18)28-3)21(25)23-15-7-8-17(16(22)13-15)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-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide?
N-(3-fluoro-4-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-(3-fluoro-4-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 17027234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).