4-(2-methoxypyrimidin-4-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide

C21H22N4O3 — CID 121161619

IUPAC4-(2-methoxypyrimidin-4-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide
SMILESCOc1nccc(OC2CCN(C(=O)Nc3cccc4ccccc34)CC2)n1
InChIInChI=1S/C21H22N4O3/c1-27-20-22-12-9-19(24-20)28-16-10-13-25(14-11-16)21(26)23-18-8-4-6-15-5-2-3-7-17(15)18/h2-9,12,16H,10-11,13-14H2,1H3,(H,23,26)
InChIKeyLECOTEBYDKIZJU-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.71
Rot. Bonds4

About 4-(2-methoxypyrimidin-4-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide

4-(2-methoxypyrimidin-4-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide (PubChem CID 121161619) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-(2-methoxypyrimidin-4-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxypyrimidin-4-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide
PubChem CID121161619
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name4-(2-methoxypyrimidin-4-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide
SMILESCOc1nccc(OC2CCN(C(=O)Nc3cccc4ccccc34)CC2)n1
InChIInChI=1S/C21H22N4O3/c1-27-20-22-12-9-19(24-20)28-16-10-13-25(14-11-16)21(26)23-18-8-4-6-15-5-2-3-7-17(15)18/h2-9,12,16H,10-11,13-14H2,1H3,(H,23,26)
InChIKeyLECOTEBYDKIZJU-UHFFFAOYSA-N
XLogP3.71
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161621
N-(2-methoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121162729
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 121161350
2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121161498
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 121161236
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 121161345
3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide
CID 122261563
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
CID 121161527
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxypropan-1-one
CID 121161322
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121161428
2-cyclopentylsulfanyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121161177

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypyrimidin-4-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide?
The IUPAC name of 4-(2-methoxypyrimidin-4-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide (CID 121161619) is 4-(2-methoxypyrimidin-4-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxypyrimidin-4-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-(2-methoxypyrimidin-4-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide is COc1nccc(OC2CCN(C(=O)Nc3cccc4ccccc34)CC2)n1.
What is the InChIKey of 4-(2-methoxypyrimidin-4-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide?
The InChIKey is LECOTEBYDKIZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-20-22-12-9-19(24-20)28-16-10-13-25(14-11-16)21(26)23-18-8-4-6-15-5-2-3-7-17(15)18/h2-9,12,16H,10-11,13-14H2,1H3,(H,23,26).
What are the key properties of 4-(2-methoxypyrimidin-4-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide?
4-(2-methoxypyrimidin-4-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypyrimidin-4-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 121161619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).