N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide

C22H25FN2O4 — CID 24790363

IUPACN-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
SMILESCOc1ccc(C(=O)N2CCCC(CNC(=O)c3ccc(F)cc3)C2)cc1OC
InChIInChI=1S/C22H25FN2O4/c1-28-19-10-7-17(12-20(19)29-2)22(27)25-11-3-4-15(14-25)13-24-21(26)16-5-8-18(23)9-6-16/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,24,26)
InChIKeyRBEMYDNSGJKMDN-UHFFFAOYSA-N
MW400.45 g/mol
LogP3.13
Rot. Bonds6

About N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide

N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide (PubChem CID 24790363) has the molecular formula C22H25FN2O4 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
PubChem CID24790363
Molecular FormulaC22H25FN2O4
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC NameN-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
SMILESCOc1ccc(C(=O)N2CCCC(CNC(=O)c3ccc(F)cc3)C2)cc1OC
InChIInChI=1S/C22H25FN2O4/c1-28-19-10-7-17(12-20(19)29-2)22(27)25-11-3-4-15(14-25)13-24-21(26)16-5-8-18(23)9-6-16/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,24,26)
InChIKeyRBEMYDNSGJKMDN-UHFFFAOYSA-N
XLogP3.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(3R)-3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 42157752
methyl 4-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
CID 24817518
4-fluoro-N-[[(3R)-1-[3-(trifluoromethyl)benzoyl]piperidin-3-yl]methyl]benzamide
CID 42356810
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625
4-fluoro-3-methoxy-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 131912931
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
4-fluoro-N-[[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]benzamide
CID 42592562
N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 45208544
4-fluoro-N-[[(3R)-1-(6-methylpyridine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 25481314
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
(5-fluoro-2-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398683

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide (CID 24790363) is N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide is COc1ccc(C(=O)N2CCCC(CNC(=O)c3ccc(F)cc3)C2)cc1OC.
What is the InChIKey of N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide?
The InChIKey is RBEMYDNSGJKMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O4/c1-28-19-10-7-17(12-20(19)29-2)22(27)25-11-3-4-15(14-25)13-24-21(26)16-5-8-18(23)9-6-16/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,24,26).
What are the key properties of N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide?
N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide has a molecular weight of 400.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 24790363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).