4-[1-[1-(5-chloro-6-cyclopropyl-2-pyridinyl)ethyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzamide

C25H29ClFN3O2 — CID 144849880

IUPAC4-[1-[1-(5-chloro-6-cyclopropyl-2-pyridinyl)ethyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzamide
SMILESCC(c1ccc(Cl)c(C2CC2)n1)N1CCCC(Oc2cc(F)c(C(N)=O)cc2C2CC2)C1
InChIInChI=1S/C25H29ClFN3O2/c1-14(22-9-8-20(26)24(29-22)16-6-7-16)30-10-2-3-17(13-30)32-23-12-21(27)19(25(28)31)11-18(23)15-4-5-15/h8-9,11-12,14-17H,2-7,10,13H2,1H3,(H2,28,31)
InChIKeyNYCKTMGVLIDVFB-UHFFFAOYSA-N
MW457.98 g/mol
LogP5.33
Rot. Bonds7

About 4-[1-[1-(5-chloro-6-cyclopropyl-2-pyridinyl)ethyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzamide

4-[1-[1-(5-chloro-6-cyclopropyl-2-pyridinyl)ethyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzamide (PubChem CID 144849880) has the molecular formula C25H29ClFN3O2 and a molecular weight of 457.98 g/mol. Its IUPAC name is 4-[1-[1-(5-chloro-6-cyclopropyl-2-pyridinyl)ethyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-[1-[1-(5-chloro-6-cyclopropyl-2-pyridinyl)ethyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzamide
PubChem CID144849880
Molecular FormulaC25H29ClFN3O2
Molecular Weight457.98 g/mol
Exact Mass457.19
IUPAC Name4-[1-[1-(5-chloro-6-cyclopropyl-2-pyridinyl)ethyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzamide
SMILESCC(c1ccc(Cl)c(C2CC2)n1)N1CCCC(Oc2cc(F)c(C(N)=O)cc2C2CC2)C1
InChIInChI=1S/C25H29ClFN3O2/c1-14(22-9-8-20(26)24(29-22)16-6-7-16)30-10-2-3-17(13-30)32-23-12-21(27)19(25(28)31)11-18(23)15-4-5-15/h8-9,11-12,14-17H,2-7,10,13H2,1H3,(H2,28,31)
InChIKeyNYCKTMGVLIDVFB-UHFFFAOYSA-N
XLogP5.33
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.98
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-[1-(5-chloro-6-cyclopropyl-2-pyridinyl)ethyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzamide with MolForge

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Related Compounds

5-cyclopropyl-4-[(3R)-1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidin-3-yl]oxy-2-fluorobenzoate
CID 131743623
5-cyclopropyl-2-fluoro-4-[1-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-3-yl]oxybenzoic acid
CID 118353523
5-cyclopropyl-4-[(3R)-1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]oxy-2-fluorobenzoic acid
CID 118111029
5-cyclopropyl-4-[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]oxy-2-fluoro-N-methylsulfonylbenzamide
CID 118110875
4-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzoic acid
CID 118110819
4-(1-benzhydrylpiperidin-3-yl)oxy-5-cyclopropyl-N-cyclopropylsulfanyl-2-fluorobenzamide
CID 144850062
5-cyclopropyl-2-fluoro-4-[1-[(4-methylphenyl)methyl]piperidin-3-yl]oxybenzoic acid
CID 118353520
bis(azetidine-1-sulfinate);4-[(3R)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzamide;cyclopropanesulfinate;tris(5-cyclopropyl-4-[(3R)-1-(3,5-dichlorophenyl)piperidin-3-yl]oxy-2-fluorobenzamide);bis(5-cyclopropyl-2-fluoro-4-[(3R)-1-phenylpiperidin-3-yl]oxybenzamide);methanesulfinate
CID 162127110
5-cyclopropyl-4-[1-(3,4-dichlorophenyl)piperidin-4-yl]oxy-2-fluoro-N-methylbenzamide
CID 122485924
5-cyclopropyl-4-[(3R)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]oxy-2-fluoro-N-methylsulfonylbenzamide
CID 118110681
tert-butyl 4-[(3R)-1-benzylpiperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzoate
CID 118120671
methyl 5-cyclopropyl-2-fluoro-4-[(3R)-1-(5-methyl-2-pyridinyl)piperidin-3-yl]oxybenzoate
CID 118359714

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(5-chloro-6-cyclopropyl-2-pyridinyl)ethyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzamide?
The IUPAC name of 4-[1-[1-(5-chloro-6-cyclopropyl-2-pyridinyl)ethyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzamide (CID 144849880) is 4-[1-[1-(5-chloro-6-cyclopropyl-2-pyridinyl)ethyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzamide.
What is the SMILES notation for 4-[1-[1-(5-chloro-6-cyclopropyl-2-pyridinyl)ethyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzamide?
The canonical SMILES for 4-[1-[1-(5-chloro-6-cyclopropyl-2-pyridinyl)ethyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzamide is CC(c1ccc(Cl)c(C2CC2)n1)N1CCCC(Oc2cc(F)c(C(N)=O)cc2C2CC2)C1.
What is the InChIKey of 4-[1-[1-(5-chloro-6-cyclopropyl-2-pyridinyl)ethyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzamide?
The InChIKey is NYCKTMGVLIDVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClFN3O2/c1-14(22-9-8-20(26)24(29-22)16-6-7-16)30-10-2-3-17(13-30)32-23-12-21(27)19(25(28)31)11-18(23)15-4-5-15/h8-9,11-12,14-17H,2-7,10,13H2,1H3,(H2,28,31).
What are the key properties of 4-[1-[1-(5-chloro-6-cyclopropyl-2-pyridinyl)ethyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzamide?
4-[1-[1-(5-chloro-6-cyclopropyl-2-pyridinyl)ethyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzamide has a molecular weight of 457.98 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(5-chloro-6-cyclopropyl-2-pyridinyl)ethyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzamide is sourced from PubChem (CID 144849880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).