N-[(4-fluorophenyl)methyl]-4-methyl-2-piperidin-4-ylpyrimidine-5-carboxamide

C18H21FN4O — CID 110082218

IUPACN-[(4-fluorophenyl)methyl]-4-methyl-2-piperidin-4-ylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCNCC2)ncc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H21FN4O/c1-12-16(11-21-17(23-12)14-6-8-20-9-7-14)18(24)22-10-13-2-4-15(19)5-3-13/h2-5,11,14,20H,6-10H2,1H3,(H,22,24)
InChIKeyZLALIWZVOWVWDK-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.32
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-4-methyl-2-piperidin-4-ylpyrimidine-5-carboxamide

N-[(4-fluorophenyl)methyl]-4-methyl-2-piperidin-4-ylpyrimidine-5-carboxamide (PubChem CID 110082218) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methyl-2-piperidin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methyl-2-piperidin-4-ylpyrimidine-5-carboxamide
PubChem CID110082218
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methyl-2-piperidin-4-ylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCNCC2)ncc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H21FN4O/c1-12-16(11-21-17(23-12)14-6-8-20-9-7-14)18(24)22-10-13-2-4-15(19)5-3-13/h2-5,11,14,20H,6-10H2,1H3,(H,22,24)
InChIKeyZLALIWZVOWVWDK-UHFFFAOYSA-N
XLogP2.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-4-methylpyrimidine-5-carboxamide
CID 92639497
2-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 110084879
N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 110084882
N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 110084695
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(3R)-1-(2-phenylacetyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 92636020
2-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639870
N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247725
2-[(2R)-1-cyclopentylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639674
N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92639751
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[(3R)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 124960830
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 124960829
2-cyclopropyl-4-methyl-N-(thiophen-3-ylmethyl)pyrimidine-5-carboxamide
CID 74250077

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-2-piperidin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-2-piperidin-4-ylpyrimidine-5-carboxamide (CID 110082218) is N-[(4-fluorophenyl)methyl]-4-methyl-2-piperidin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methyl-2-piperidin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methyl-2-piperidin-4-ylpyrimidine-5-carboxamide is Cc1nc(C2CCNCC2)ncc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methyl-2-piperidin-4-ylpyrimidine-5-carboxamide?
The InChIKey is ZLALIWZVOWVWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-12-16(11-21-17(23-12)14-6-8-20-9-7-14)18(24)22-10-13-2-4-15(19)5-3-13/h2-5,11,14,20H,6-10H2,1H3,(H,22,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methyl-2-piperidin-4-ylpyrimidine-5-carboxamide?
N-[(4-fluorophenyl)methyl]-4-methyl-2-piperidin-4-ylpyrimidine-5-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methyl-2-piperidin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 110082218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).