N-(4,6-dimethylpyrimidin-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide

C18H21FN4O — CID 17152729

IUPACN-(4,6-dimethylpyrimidin-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)C2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C18H21FN4O/c1-12-11-13(2)21-18(20-12)22-17(24)14-7-9-23(10-8-14)16-6-4-3-5-15(16)19/h3-6,11,14H,7-10H2,1-2H3,(H,20,21,22,24)
InChIKeyPCFUUVYIFNBRMJ-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.09
Rot. Bonds3

About N-(4,6-dimethylpyrimidin-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide

N-(4,6-dimethylpyrimidin-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide (PubChem CID 17152729) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide
PubChem CID17152729
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)C2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C18H21FN4O/c1-12-11-13(2)21-18(20-12)22-17(24)14-7-9-23(10-8-14)16-6-4-3-5-15(16)19/h3-6,11,14H,7-10H2,1-2H3,(H,20,21,22,24)
InChIKeyPCFUUVYIFNBRMJ-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

N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152605
N,1-bis(2-fluorophenyl)piperidine-4-carboxamide
CID 17152573
1-(2-fluorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17152720
1-(2-fluorophenyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 17152616
N-(2-ethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152635
1-(2-fluorophenyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17152653
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate
CID 117028042
1-(2-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 17152558
1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 17152735
N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152559
N-(2-butan-2-ylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152752
N-cyclopropyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112907585

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide (CID 17152729) is N-(4,6-dimethylpyrimidin-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide is Cc1cc(C)nc(NC(=O)C2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is PCFUUVYIFNBRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-12-11-13(2)21-18(20-12)22-17(24)14-7-9-23(10-8-14)16-6-4-3-5-15(16)19/h3-6,11,14H,7-10H2,1-2H3,(H,20,21,22,24).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide?
N-(4,6-dimethylpyrimidin-2-yl)-1-(2-fluorophenyl)piperidine-4-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-(4,6-dimethylpyrimidin-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17152729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).