N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide

C22H27FN4O2 — CID 126786115

IUPACN-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccnc(N2CCC(C(=O)NC3(Cc4cccc(F)c4)CCC3)CC2)n1
InChIInChI=1S/C22H27FN4O2/c1-29-19-6-11-24-21(25-19)27-12-7-17(8-13-27)20(28)26-22(9-3-10-22)15-16-4-2-5-18(23)14-16/h2,4-6,11,14,17H,3,7-10,12-13,15H2,1H3,(H,26,28)
InChIKeyNOURNJCPMAZLOT-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.12
Rot. Bonds6

About N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide

N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 126786115) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID126786115
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC NameN-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
SMILESCOc1ccnc(N2CCC(C(=O)NC3(Cc4cccc(F)c4)CCC3)CC2)n1
InChIInChI=1S/C22H27FN4O2/c1-29-19-6-11-24-21(25-19)27-12-7-17(8-13-27)20(28)26-22(9-3-10-22)15-16-4-2-5-18(23)14-16/h2,4-6,11,14,17H,3,7-10,12-13,15H2,1H3,(H,26,28)
InChIKeyNOURNJCPMAZLOT-UHFFFAOYSA-N
XLogP3.12
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 31895955
N-[[4-fluoro-1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432135
1-(4-methoxypyrimidin-2-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]piperidine-4-carboxamide
CID 78901703
1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 78852537
(3-fluorophenyl)-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 22617927
1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 78892410
N-ethyl-N-[(3-fluorophenyl)methyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetamide
CID 60585524
1-(4-methoxypyrimidin-2-yl)-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120830016
1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 31968556
N-[2-[(1S,2S)-2-cyclopropylcyclopropyl]ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 167931722
N-[2-(1H-imidazol-2-yl)ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 126774946
1-(4-methoxypyrimidin-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 78852400

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide (CID 126786115) is N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide is COc1ccnc(N2CCC(C(=O)NC3(Cc4cccc(F)c4)CCC3)CC2)n1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is NOURNJCPMAZLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-29-19-6-11-24-21(25-19)27-12-7-17(8-13-27)20(28)26-22(9-3-10-22)15-16-4-2-5-18(23)14-16/h2,4-6,11,14,17H,3,7-10,12-13,15H2,1H3,(H,26,28).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide?
N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]cyclobutyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 126786115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).