1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide

C19H24FN5O — CID 134699717

IUPAC1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCNc1nc(N2CCC(C(=O)NCCc3ccccc3)CC2)ncc1F
InChIInChI=1S/C19H24FN5O/c1-21-17-16(20)13-23-19(24-17)25-11-8-15(9-12-25)18(26)22-10-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,22,26)(H,21,23,24)
InChIKeyYYAUKIYYMPATRO-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.23
Rot. Bonds6

About 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide

1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 134699717) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID134699717
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC Name1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCNc1nc(N2CCC(C(=O)NCCc3ccccc3)CC2)ncc1F
InChIInChI=1S/C19H24FN5O/c1-21-17-16(20)13-23-19(24-17)25-11-8-15(9-12-25)18(26)22-10-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,22,26)(H,21,23,24)
InChIKeyYYAUKIYYMPATRO-UHFFFAOYSA-N
XLogP2.23
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
1-[1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56880429
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 650826
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20882851
2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109250857
N-benzyl-1-(9-methylpurin-2-yl)piperidine-4-carboxamide
CID 157018162
N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 118769143
N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]cyclopentanecarboxamide
CID 118784232
N-benzyl-1-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146132
4,4-difluoro-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 59396553
N-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107315

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide (CID 134699717) is 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide is CNc1nc(N2CCC(C(=O)NCCc3ccccc3)CC2)ncc1F.
What is the InChIKey of 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is YYAUKIYYMPATRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-21-17-16(20)13-23-19(24-17)25-11-8-15(9-12-25)18(26)22-10-7-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,22,26)(H,21,23,24).
What are the key properties of 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide?
1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 134699717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).