N-[(3,4-dimethoxyphenyl)methyl]-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide

C21H28N4O4 — CID 122268321

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
SMILESCCc1cnc(OC2CCCN(C(=O)NCc3ccc(OC)c(OC)c3)C2)nc1
InChIInChI=1S/C21H28N4O4/c1-4-15-11-22-20(23-12-15)29-17-6-5-9-25(14-17)21(26)24-13-16-7-8-18(27-2)19(10-16)28-3/h7-8,10-12,17H,4-6,9,13-14H2,1-3H3,(H,24,26)
InChIKeyFCTMQVDBPJOSBL-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.81
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide (PubChem CID 122268321) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
PubChem CID122268321
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
SMILESCCc1cnc(OC2CCCN(C(=O)NCc3ccc(OC)c(OC)c3)C2)nc1
InChIInChI=1S/C21H28N4O4/c1-4-15-11-22-20(23-12-15)29-17-6-5-9-25(14-17)21(26)24-13-16-7-8-18(27-2)19(10-16)28-3/h7-8,10-12,17H,4-6,9,13-14H2,1-3H3,(H,24,26)
InChIKeyFCTMQVDBPJOSBL-UHFFFAOYSA-N
XLogP2.81
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dimethoxyphenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268015
N-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122260530
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 122268248
3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 122258593
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 100633542
N-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268290
3-(5-ethylpyrimidin-2-yl)oxy-N-pentan-3-ylpiperidine-1-carboxamide
CID 122268315
(3S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxypiperidine-1-carboxamide
CID 95329456
N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
N-(3,4-dichlorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268297
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638467
(E)-1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 122268052

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide (CID 122268321) is N-[(3,4-dimethoxyphenyl)methyl]-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide is CCc1cnc(OC2CCCN(C(=O)NCc3ccc(OC)c(OC)c3)C2)nc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide?
The InChIKey is FCTMQVDBPJOSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-4-15-11-22-20(23-12-15)29-17-6-5-9-25(14-17)21(26)24-13-16-7-8-18(27-2)19(10-16)28-3/h7-8,10-12,17H,4-6,9,13-14H2,1-3H3,(H,24,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 2.81, 7 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-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 122268321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).