N-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

C18H21FN4O — CID 3223222

IUPACN-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H21FN4O/c1-13-6-9-20-18(22-13)23-10-7-15(8-11-23)17(24)21-12-14-2-4-16(19)5-3-14/h2-6,9,15H,7-8,10-12H2,1H3,(H,21,24)
InChIKeyBUKIPOMZGCGYOA-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.46
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 3223222) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID3223222
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H21FN4O/c1-13-6-9-20-18(22-13)23-10-7-15(8-11-23)17(24)21-12-14-2-4-16(19)5-3-14/h2-6,9,15H,7-8,10-12H2,1H3,(H,21,24)
InChIKeyBUKIPOMZGCGYOA-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (CID 3223222) is N-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is Cc1ccnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is BUKIPOMZGCGYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-13-6-9-20-18(22-13)23-10-7-15(8-11-23)17(24)21-12-14-2-4-16(19)5-3-14/h2-6,9,15H,7-8,10-12H2,1H3,(H,21,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3223222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).