N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide

C19H24N4O4 — CID 122261595

IUPACN-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC(Oc3ccnc(OC)n3)C2)cc1
InChIInChI=1S/C19H24N4O4/c1-25-15-7-5-14(6-8-15)12-21-19(24)23-11-3-4-16(13-23)27-17-9-10-20-18(22-17)26-2/h5-10,16H,3-4,11-13H2,1-2H3,(H,21,24)
InChIKeyHIGXWRBUNRQOGW-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.25
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide

N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide (PubChem CID 122261595) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
PubChem CID122261595
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC(Oc3ccnc(OC)n3)C2)cc1
InChIInChI=1S/C19H24N4O4/c1-25-15-7-5-14(6-8-15)12-21-19(24)23-11-3-4-16(13-23)27-17-9-10-20-18(22-17)26-2/h5-10,16H,3-4,11-13H2,1-2H3,(H,21,24)
InChIKeyHIGXWRBUNRQOGW-UHFFFAOYSA-N
XLogP2.25
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261615
N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261562
3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 122258593
2-(4-ethoxyphenyl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261332
3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide
CID 122261563
3-[(3-chloro-4-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 122256474
(4-ethoxyphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261264
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 122261229
2-chloro-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 122261251
2-cyclopentylsulfanyl-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261170
3-(2-methoxypyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 122261579
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
CID 122261520

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide (CID 122261595) is N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide is COc1ccc(CNC(=O)N2CCCC(Oc3ccnc(OC)n3)C2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide?
The InChIKey is HIGXWRBUNRQOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-25-15-7-5-14(6-8-15)12-21-19(24)23-11-3-4-16(13-23)27-17-9-10-20-18(22-17)26-2/h5-10,16H,3-4,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide?
N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 122261595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).