N-[6-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-2-chloro-4-fluorobenzamide

C24H23ClFN3O2 — CID 163786051

IUPACN-[6-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-2-chloro-4-fluorobenzamide
SMILESO=C(Nc1cccc(OC2CCN(Cc3ccccc3)CC2)n1)c1ccc(F)cc1Cl
InChIInChI=1S/C24H23ClFN3O2/c25-21-15-18(26)9-10-20(21)24(30)28-22-7-4-8-23(27-22)31-19-11-13-29(14-12-19)16-17-5-2-1-3-6-17/h1-10,15,19H,11-14,16H2,(H,27,28,30)
InChIKeyMSQHSNGVDOTQJT-UHFFFAOYSA-N
MW439.92 g/mol
LogP5.17
Rot. Bonds6

About N-[6-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-2-chloro-4-fluorobenzamide

N-[6-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-2-chloro-4-fluorobenzamide (PubChem CID 163786051) has the molecular formula C24H23ClFN3O2 and a molecular weight of 439.92 g/mol. Its IUPAC name is N-[6-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-2-chloro-4-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-2-chloro-4-fluorobenzamide
PubChem CID163786051
Molecular FormulaC24H23ClFN3O2
Molecular Weight439.92 g/mol
Exact Mass439.15
IUPAC NameN-[6-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-2-chloro-4-fluorobenzamide
SMILESO=C(Nc1cccc(OC2CCN(Cc3ccccc3)CC2)n1)c1ccc(F)cc1Cl
InChIInChI=1S/C24H23ClFN3O2/c25-21-15-18(26)9-10-20(21)24(30)28-22-7-4-8-23(27-22)31-19-11-13-29(14-12-19)16-17-5-2-1-3-6-17/h1-10,15,19H,11-14,16H2,(H,27,28,30)
InChIKeyMSQHSNGVDOTQJT-UHFFFAOYSA-N
XLogP5.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.92
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride
CID 69063392
CID 88581631
CID 88581631
2,4-difluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydrochloride
CID 69074371
2-chloro-N-[6-[(1-ethylpiperidin-4-yl)methylamino]-2-pyridinyl]-4-fluorobenzamide;hydrochloride
CID 142780032
N-[6-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;N-[6-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;dihydrochloride
CID 159914321
N-(6-amino-2-pyridinyl)-2-chloro-4-fluorobenzamide
CID 58997299
2-[3-[3-[(6-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-hydroxypropoxy]-4-fluoro-N-phenylbenzamide
CID 10299815
2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine
CID 62916852
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-chloro-4-fluorobenzamide
CID 18075087
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17250306
1-[[3-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]phenyl]methyl]piperidine-4-carboxamide
CID 55801497
2-chloro-4-fluoro-N-[6-[methyl-[1-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]piperidin-4-yl]amino]-2-pyridinyl]benzamide;hydrochloride
CID 66938809

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-2-chloro-4-fluorobenzamide?
The IUPAC name of N-[6-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-2-chloro-4-fluorobenzamide (CID 163786051) is N-[6-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-2-chloro-4-fluorobenzamide.
What is the SMILES notation for N-[6-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-2-chloro-4-fluorobenzamide?
The canonical SMILES for N-[6-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-2-chloro-4-fluorobenzamide is O=C(Nc1cccc(OC2CCN(Cc3ccccc3)CC2)n1)c1ccc(F)cc1Cl.
What is the InChIKey of N-[6-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-2-chloro-4-fluorobenzamide?
The InChIKey is MSQHSNGVDOTQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O2/c25-21-15-18(26)9-10-20(21)24(30)28-22-7-4-8-23(27-22)31-19-11-13-29(14-12-19)16-17-5-2-1-3-6-17/h1-10,15,19H,11-14,16H2,(H,27,28,30).
What are the key properties of N-[6-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-2-chloro-4-fluorobenzamide?
N-[6-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-2-chloro-4-fluorobenzamide has a molecular weight of 439.92 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-2-chloro-4-fluorobenzamide is sourced from PubChem (CID 163786051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).