N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide

C24H24FN3O — CID 113015459

IUPACN-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCC(Cc3ccccc3)CC2)nc1)c1ccccc1F
InChIInChI=1S/C24H24FN3O/c25-22-9-5-4-8-21(22)24(29)27-20-10-11-23(26-17-20)28-14-12-19(13-15-28)16-18-6-2-1-3-7-18/h1-11,17,19H,12-16H2,(H,27,29)
InChIKeyROHZWLXKBAZCGF-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.93
Rot. Bonds5

About N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide

N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide (PubChem CID 113015459) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide
PubChem CID113015459
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC NameN-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(N2CCC(Cc3ccccc3)CC2)nc1)c1ccccc1F
InChIInChI=1S/C24H24FN3O/c25-22-9-5-4-8-21(22)24(29)27-20-10-11-23(26-17-20)28-14-12-19(13-15-28)16-18-6-2-1-3-7-18/h1-11,17,19H,12-16H2,(H,27,29)
InChIKeyROHZWLXKBAZCGF-UHFFFAOYSA-N
XLogP4.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-3-fluorobenzamide
CID 113015460
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]cyclopropanecarboxamide
CID 113015446
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 46053831
2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014414
2-fluoro-N-[6-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857382
6-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 109161603
N-[6-(4-benzoyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 46053170
2-fluoro-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850234
2-fluoro-N-[6-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857384
3-[[1-[5-[(2-benzylbenzoyl)amino]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
CID 56839514
2-fluoro-N-[6-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 42857888
2-(4-benzylpiperidin-1-yl)-5-(dimethylsulfamoylamino)pyridine
CID 113015482

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide?
The IUPAC name of N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide (CID 113015459) is N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide is O=C(Nc1ccc(N2CCC(Cc3ccccc3)CC2)nc1)c1ccccc1F.
What is the InChIKey of N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide?
The InChIKey is ROHZWLXKBAZCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O/c25-22-9-5-4-8-21(22)24(29)27-20-10-11-23(26-17-20)28-14-12-19(13-15-28)16-18-6-2-1-3-7-18/h1-11,17,19H,12-16H2,(H,27,29).
What are the key properties of N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide?
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide has a molecular weight of 389.47 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 113015459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).