3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide

C17H20N4O3 — CID 122261563

IUPAC3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide
SMILESCOc1nccc(OC2CCCN(C(=O)Nc3ccccc3)C2)n1
InChIInChI=1S/C17H20N4O3/c1-23-16-18-10-9-15(20-16)24-14-8-5-11-21(12-14)17(22)19-13-6-3-2-4-7-13/h2-4,6-7,9-10,14H,5,8,11-12H2,1H3,(H,19,22)
InChIKeyBRCQUIJAJZMXLC-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.56
Rot. Bonds4

About 3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide

3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide (PubChem CID 122261563) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide
PubChem CID122261563
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide
SMILESCOc1nccc(OC2CCCN(C(=O)Nc3ccccc3)C2)n1
InChIInChI=1S/C17H20N4O3/c1-23-16-18-10-9-15(20-16)24-14-8-5-11-21(12-14)17(22)19-13-6-3-2-4-7-13/h2-4,6-7,9-10,14H,5,8,11-12H2,1H3,(H,19,22)
InChIKeyBRCQUIJAJZMXLC-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

3-(2-methoxypyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 122261579
N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261562
N-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122243652
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 122261229
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
CID 122261254
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
CID 122261520
N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261595
2-chloro-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 122261251
1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261508
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 122261212
(4-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261283
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
CID 122261217

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide (CID 122261563) is 3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide is COc1nccc(OC2CCCN(C(=O)Nc3ccccc3)C2)n1.
What is the InChIKey of 3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide?
The InChIKey is BRCQUIJAJZMXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-16-18-10-9-15(20-16)24-14-8-5-11-21(12-14)17(22)19-13-6-3-2-4-7-13/h2-4,6-7,9-10,14H,5,8,11-12H2,1H3,(H,19,22).
What are the key properties of 3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide?
3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-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 3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 122261563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).