1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide

C22H24N4O2 — CID 78852537

IUPAC1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccnc(N2CCC(C(=O)NCc3cccc4ccccc34)CC2)n1
InChIInChI=1S/C22H24N4O2/c1-28-20-9-12-23-22(25-20)26-13-10-17(11-14-26)21(27)24-15-18-7-4-6-16-5-2-3-8-19(16)18/h2-9,12,17H,10-11,13-15H2,1H3,(H,24,27)
InChIKeyPZTSWHMJXDSWSG-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.17
Rot. Bonds5

About 1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide

1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide (PubChem CID 78852537) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
PubChem CID78852537
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccnc(N2CCC(C(=O)NCc3cccc4ccccc34)CC2)n1
InChIInChI=1S/C22H24N4O2/c1-28-20-9-12-23-22(25-20)26-13-10-17(11-14-26)21(27)24-15-18-7-4-6-16-5-2-3-8-19(16)18/h2-9,12,17H,10-11,13-15H2,1H3,(H,24,27)
InChIKeyPZTSWHMJXDSWSG-UHFFFAOYSA-N
XLogP3.17
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxypyrimidin-2-yl)-N-[(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 78892410
1-(4-methoxypyrimidin-2-yl)-N-[[2-(propoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 78890379
N-(2-acetamidoethyl)-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 31895955
1-(4-methoxypyrimidin-2-yl)-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120830016
N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53102218
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
N-[[4-fluoro-1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432135
1-[4-(2-chloroanilino)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 134800551
1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 95945588
N-[(2-methoxy-4-pyridinyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 18205211
1-(4-methoxypyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 31968556

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide (CID 78852537) is 1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide is COc1ccnc(N2CCC(C(=O)NCc3cccc4ccccc34)CC2)n1.
What is the InChIKey of 1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
The InChIKey is PZTSWHMJXDSWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-28-20-9-12-23-22(25-20)26-13-10-17(11-14-26)21(27)24-15-18-7-4-6-16-5-2-3-8-19(16)18/h2-9,12,17H,10-11,13-15H2,1H3,(H,24,27).
What are the key properties of 1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide?
1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrimidin-2-yl)-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 78852537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).