N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide

C17H20N4O3 — CID 122257523

IUPACN-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C17H20N4O3/c1-23-15-8-3-2-7-14(15)20-17(22)21-11-4-6-13(12-21)24-16-18-9-5-10-19-16/h2-3,5,7-10,13H,4,6,11-12H2,1H3,(H,20,22)
InChIKeyGQNCUAUQYUSGDJ-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.56
Rot. Bonds4

About N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide

N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide (PubChem CID 122257523) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
PubChem CID122257523
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C17H20N4O3/c1-23-15-8-3-2-7-14(15)20-17(22)21-11-4-6-13(12-21)24-16-18-9-5-10-19-16/h2-3,5,7-10,13H,4,6,11-12H2,1H3,(H,20,22)
InChIKeyGQNCUAUQYUSGDJ-UHFFFAOYSA-N
XLogP2.56
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257527
3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide
CID 122259565
4-[1-[(2-methoxyphenyl)carbamoyl]piperidin-3-yl]oxypyridine-2-carboxamide
CID 122257006
N-(2,3-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
CID 122267734
N-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257519
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
N-(2-methoxyphenyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638861
N-(2-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122258586
methyl 4-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)benzoate
CID 122160936
N-(2-methoxyphenyl)-3-(1,3-thiazol-2-yloxy)azetidine-1-carboxamide
CID 90627691
3-(3,5-dimethoxyanilino)-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 71849001
3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide
CID 122261563

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide (CID 122257523) is N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide is COc1ccccc1NC(=O)N1CCCC(Oc2ncccn2)C1.
What is the InChIKey of N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide?
The InChIKey is GQNCUAUQYUSGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-15-8-3-2-7-14(15)20-17(22)21-11-4-6-13(12-21)24-16-18-9-5-10-19-16/h2-3,5,7-10,13H,4,6,11-12H2,1H3,(H,20,22).
What are the key properties of N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide?
N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide is sourced from PubChem (CID 122257523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).