3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide

C18H21FN4O — CID 122318546

IUPAC3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2nccc(N3CCCCC3)n2)cc1F
InChIInChI=1S/C18H21FN4O/c1-13-5-6-14(11-15(13)19)18(24)21-12-16-20-8-7-17(22-16)23-9-3-2-4-10-23/h5-8,11H,2-4,9-10,12H2,1H3,(H,21,24)
InChIKeyPTXAOOLZZCXTTL-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.84
Rot. Bonds4

About 3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide

3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide (PubChem CID 122318546) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
PubChem CID122318546
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2nccc(N3CCCCC3)n2)cc1F
InChIInChI=1S/C18H21FN4O/c1-13-5-6-14(11-15(13)19)18(24)21-12-16-20-8-7-17(22-16)23-9-3-2-4-10-23/h5-8,11H,2-4,9-10,12H2,1H3,(H,21,24)
InChIKeyPTXAOOLZZCXTTL-UHFFFAOYSA-N
XLogP2.84
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfanyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318570
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 72717998
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-3-fluoro-4-methylbenzamide
CID 122322557
3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 91966623
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 122317464
6-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122317533
3-fluoro-4-methyl-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122326507
2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide
CID 122317438
5-bromo-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122317411
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122317397
3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32586803
3-fluoro-4-methoxy-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122317873

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide (CID 122318546) is 3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide is Cc1ccc(C(=O)NCc2nccc(N3CCCCC3)n2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide?
The InChIKey is PTXAOOLZZCXTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-13-5-6-14(11-15(13)19)18(24)21-12-16-20-8-7-17(22-16)23-9-3-2-4-10-23/h5-8,11H,2-4,9-10,12H2,1H3,(H,21,24).
What are the key properties of 3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide?
3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide has a molecular weight of 328.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide is sourced from PubChem (CID 122318546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).