4-fluoro-2-methyl-N-piperidin-4-yl-3-pyridin-3-ylbenzamide

C18H20FN3O — CID 144590337

IUPAC4-fluoro-2-methyl-N-piperidin-4-yl-3-pyridin-3-ylbenzamide
SMILESCc1c(C(=O)NC2CCNCC2)ccc(F)c1-c1cccnc1
InChIInChI=1S/C18H20FN3O/c1-12-15(18(23)22-14-6-9-20-10-7-14)4-5-16(19)17(12)13-3-2-8-21-11-13/h2-5,8,11,14,20H,6-7,9-10H2,1H3,(H,22,23)
InChIKeyZXHGNJLYOPMYIP-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.68
Rot. Bonds3

About 4-fluoro-2-methyl-N-piperidin-4-yl-3-pyridin-3-ylbenzamide

4-fluoro-2-methyl-N-piperidin-4-yl-3-pyridin-3-ylbenzamide (PubChem CID 144590337) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-piperidin-4-yl-3-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-piperidin-4-yl-3-pyridin-3-ylbenzamide
PubChem CID144590337
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name4-fluoro-2-methyl-N-piperidin-4-yl-3-pyridin-3-ylbenzamide
SMILESCc1c(C(=O)NC2CCNCC2)ccc(F)c1-c1cccnc1
InChIInChI=1S/C18H20FN3O/c1-12-15(18(23)22-14-6-9-20-10-7-14)4-5-16(19)17(12)13-3-2-8-21-11-13/h2-5,8,11,14,20H,6-7,9-10H2,1H3,(H,22,23)
InChIKeyZXHGNJLYOPMYIP-UHFFFAOYSA-N
XLogP2.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride
CID 117073389
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
2-fluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387686
4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide
CID 119388030
2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81459818
2,5-difluoro-N-piperidin-4-ylbenzamide
CID 24690587
N-(azepan-4-yl)-2,3-dimethylbenzamide
CID 105060973
N-piperidin-4-yl-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 172633218
5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389522
2,4-difluoro-5-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386244
2,3,4-trifluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79749815
2-chloro-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388266

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-piperidin-4-yl-3-pyridin-3-ylbenzamide?
The IUPAC name of 4-fluoro-2-methyl-N-piperidin-4-yl-3-pyridin-3-ylbenzamide (CID 144590337) is 4-fluoro-2-methyl-N-piperidin-4-yl-3-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-piperidin-4-yl-3-pyridin-3-ylbenzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-piperidin-4-yl-3-pyridin-3-ylbenzamide is Cc1c(C(=O)NC2CCNCC2)ccc(F)c1-c1cccnc1.
What is the InChIKey of 4-fluoro-2-methyl-N-piperidin-4-yl-3-pyridin-3-ylbenzamide?
The InChIKey is ZXHGNJLYOPMYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-12-15(18(23)22-14-6-9-20-10-7-14)4-5-16(19)17(12)13-3-2-8-21-11-13/h2-5,8,11,14,20H,6-7,9-10H2,1H3,(H,22,23).
What are the key properties of 4-fluoro-2-methyl-N-piperidin-4-yl-3-pyridin-3-ylbenzamide?
4-fluoro-2-methyl-N-piperidin-4-yl-3-pyridin-3-ylbenzamide has a molecular weight of 313.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-piperidin-4-yl-3-pyridin-3-ylbenzamide is sourced from PubChem (CID 144590337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).