N-[(4-fluorophenyl)methyl]-4-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxamide

C18H22FN5O2 — CID 171336207

IUPACN-[(4-fluorophenyl)methyl]-4-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxamide
SMILESCOc1cc(NC2CCN(C(=O)NCc3ccc(F)cc3)CC2)ncn1
InChIInChI=1S/C18H22FN5O2/c1-26-17-10-16(21-12-22-17)23-15-6-8-24(9-7-15)18(25)20-11-13-2-4-14(19)5-3-13/h2-5,10,12,15H,6-9,11H2,1H3,(H,20,25)(H,21,22,23)
InChIKeyWOQDBXCOOUEBHH-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.41
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-4-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxamide

N-[(4-fluorophenyl)methyl]-4-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxamide (PubChem CID 171336207) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxamide
PubChem CID171336207
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxamide
SMILESCOc1cc(NC2CCN(C(=O)NCc3ccc(F)cc3)CC2)ncn1
InChIInChI=1S/C18H22FN5O2/c1-26-17-10-16(21-12-22-17)23-15-6-8-24(9-7-15)18(25)20-11-13-2-4-14(19)5-3-13/h2-5,10,12,15H,6-9,11H2,1H3,(H,20,25)(H,21,22,23)
InChIKeyWOQDBXCOOUEBHH-UHFFFAOYSA-N
XLogP2.41
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-4-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxamide with MolForge

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Related Compounds

4-[(6-ethoxypyrimidin-4-yl)amino]-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]piperidine-1-carboxamide
CID 139005476
N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide
CID 91918293
N-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-1-carboxamide
CID 90559393
ethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112860217
N-[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171998529
[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126887972
4-[[6-(dimethylamino)pyrimidin-4-yl]amino]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 171689724
N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine
CID 66319421
ethyl 4-[4-[(4-fluorophenyl)methylcarbamoyl]piperazin-1-yl]piperidine-1-carboxylate
CID 113107632
N-[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171995465
[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 126887928
(5-tert-butyl-1H-pyrazol-3-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126888003

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxamide (CID 171336207) is N-[(4-fluorophenyl)methyl]-4-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxamide is COc1cc(NC2CCN(C(=O)NCc3ccc(F)cc3)CC2)ncn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxamide?
The InChIKey is WOQDBXCOOUEBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c1-26-17-10-16(21-12-22-17)23-15-6-8-24(9-7-15)18(25)20-11-13-2-4-14(19)5-3-13/h2-5,10,12,15H,6-9,11H2,1H3,(H,20,25)(H,21,22,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-4-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 171336207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).