N-(5-fluoro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

C18H21FN4O — CID 648910

IUPACN-(5-fluoro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCCC(C(=O)Nc3cc(F)ccc3C)C2)n1
InChIInChI=1S/C18H21FN4O/c1-12-5-6-15(19)10-16(12)22-17(24)14-4-3-9-23(11-14)18-20-8-7-13(2)21-18/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,22,24)
InChIKeyCVOKZPGAYOLKDH-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.09
Rot. Bonds3

About N-(5-fluoro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

N-(5-fluoro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 648910) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID648910
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC NameN-(5-fluoro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCCC(C(=O)Nc3cc(F)ccc3C)C2)n1
InChIInChI=1S/C18H21FN4O/c1-12-5-6-15(19)10-16(12)22-17(24)14-4-3-9-23(11-14)18-20-8-7-13(2)21-18/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,22,24)
InChIKeyCVOKZPGAYOLKDH-UHFFFAOYSA-N
XLogP3.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 648910) is N-(5-fluoro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is Cc1ccnc(N2CCCC(C(=O)Nc3cc(F)ccc3C)C2)n1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is CVOKZPGAYOLKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-12-5-6-15(19)10-16(12)22-17(24)14-4-3-9-23(11-14)18-20-8-7-13(2)21-18/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,22,24).
What are the key properties of N-(5-fluoro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
N-(5-fluoro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 648910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).