N-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide

C21H28N4O4 — CID 122260530

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC(Oc3cc(C)nc(C)n3)C2)cc1OC
InChIInChI=1S/C21H28N4O4/c1-14-10-20(24-15(2)23-14)29-17-6-5-9-25(13-17)21(26)22-12-16-7-8-18(27-3)19(11-16)28-4/h7-8,10-11,17H,5-6,9,12-13H2,1-4H3,(H,22,26)
InChIKeyOYWKSVICYLNBLC-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.86
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide (PubChem CID 122260530) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
PubChem CID122260530
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC(Oc3cc(C)nc(C)n3)C2)cc1OC
InChIInChI=1S/C21H28N4O4/c1-14-10-20(24-15(2)23-14)29-17-6-5-9-25(13-17)21(26)22-12-16-7-8-18(27-3)19(11-16)28-4/h7-8,10-11,17H,5-6,9,12-13H2,1-4H3,(H,22,26)
InChIKeyOYWKSVICYLNBLC-UHFFFAOYSA-N
XLogP2.86
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 100633542
N-[(3,4-dimethoxyphenyl)methyl]-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268321
N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 90559688
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638467
(5-chloro-2-methoxyphenyl)-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260273
3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 122258095
(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide
CID 95329456
N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
CID 122260175
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 122260311
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one
CID 122260320
3-(2,6-dimethylpyrimidin-4-yl)oxy-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 126854667

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide (CID 122260530) is N-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide is COc1ccc(CNC(=O)N2CCCC(Oc3cc(C)nc(C)n3)C2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The InChIKey is OYWKSVICYLNBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-14-10-20(24-15(2)23-14)29-17-6-5-9-25(13-17)21(26)22-12-16-7-8-18(27-3)19(11-16)28-4/h7-8,10-11,17H,5-6,9,12-13H2,1-4H3,(H,22,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 122260530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).