N-[[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-4-pyridinyl]methyl]-4-fluorobenzamide

C25H23ClFN3O3 — CID 67168973

IUPACN-[[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-4-pyridinyl]methyl]-4-fluorobenzamide
SMILESO=C(NCc1ccnc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1)c1ccc(F)cc1
InChIInChI=1S/C25H23ClFN3O3/c26-19-3-7-21(8-4-19)33-22-10-13-30(14-11-22)25(32)23-15-17(9-12-28-23)16-29-24(31)18-1-5-20(27)6-2-18/h1-9,12,15,22H,10-11,13-14,16H2,(H,29,31)
InChIKeyVPBLBVXYLJPAED-UHFFFAOYSA-N
MW467.93 g/mol
LogP4.49
Rot. Bonds6

About N-[[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-4-pyridinyl]methyl]-4-fluorobenzamide

N-[[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-4-pyridinyl]methyl]-4-fluorobenzamide (PubChem CID 67168973) has the molecular formula C25H23ClFN3O3 and a molecular weight of 467.93 g/mol. Its IUPAC name is N-[[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-4-pyridinyl]methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-4-pyridinyl]methyl]-4-fluorobenzamide
PubChem CID67168973
Molecular FormulaC25H23ClFN3O3
Molecular Weight467.93 g/mol
Exact Mass467.14
IUPAC NameN-[[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-4-pyridinyl]methyl]-4-fluorobenzamide
SMILESO=C(NCc1ccnc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1)c1ccc(F)cc1
InChIInChI=1S/C25H23ClFN3O3/c26-19-3-7-21(8-4-19)33-22-10-13-30(14-11-22)25(32)23-15-17(9-12-28-23)16-29-24(31)18-1-5-20(27)6-2-18/h1-9,12,15,22H,10-11,13-14,16H2,(H,29,31)
InChIKeyVPBLBVXYLJPAED-UHFFFAOYSA-N
XLogP4.49
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.93
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzamide, N-[4-chloro-3-[(3-pyridinyloxy)methyl]phenyl]-3-fluoro-5-(4-morpholinyl)-
CID 656950
3-[2-(4-chlorophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052371
3-[2-(5-chloropyridin-2-yl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052373
3-[2-(2,4-dichlorophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396199
3-[2-(3-chlorophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396254
4-chloro-3-[2-(4-fluorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396287
Nlx204; nlx204
CID 132256735
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[(4-methoxy-2-pyridinyl)oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132256750
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[(4-fluoro-2-pyridinyl)oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132257041
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[(5-fluoro-2-pyridinyl)oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132257105
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[4-(trifluoromethyl)pyridin-2-yl]oxyethylamino]methyl]piperidin-1-yl]methanone
CID 132257123
N-[3-[[2-(4-chlorophenoxy)acetyl]amino]propyl]pyridine-2-carboxamide
CID 2988519

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-4-pyridinyl]methyl]-4-fluorobenzamide?
The IUPAC name of N-[[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-4-pyridinyl]methyl]-4-fluorobenzamide (CID 67168973) is N-[[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-4-pyridinyl]methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-4-pyridinyl]methyl]-4-fluorobenzamide?
The canonical SMILES for N-[[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-4-pyridinyl]methyl]-4-fluorobenzamide is O=C(NCc1ccnc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c1)c1ccc(F)cc1.
What is the InChIKey of N-[[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-4-pyridinyl]methyl]-4-fluorobenzamide?
The InChIKey is VPBLBVXYLJPAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN3O3/c26-19-3-7-21(8-4-19)33-22-10-13-30(14-11-22)25(32)23-15-17(9-12-28-23)16-29-24(31)18-1-5-20(27)6-2-18/h1-9,12,15,22H,10-11,13-14,16H2,(H,29,31).
What are the key properties of N-[[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-4-pyridinyl]methyl]-4-fluorobenzamide?
N-[[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-4-pyridinyl]methyl]-4-fluorobenzamide has a molecular weight of 467.93 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-4-pyridinyl]methyl]-4-fluorobenzamide is sourced from PubChem (CID 67168973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).