1-ethyl-N-methylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide;phenyl 4-(4-fluoro-3-methoxyphenyl)imidazole-1-carboxylate

C44H56F2N8O5 — CID 158134518

IUPAC1-ethyl-N-methylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide;phenyl 4-(4-fluoro-3-methoxyphenyl)imidazole-1-carboxylate
SMILESCCN1CCC(N(C)C(=O)n2cnc(-c3ccc(F)c(OC)c3)c2)CC1.CCN1CCC(NC)CC1.COc1cc(-c2cn(C(=O)Oc3ccccc3)cn2)ccc1F
InChIInChI=1S/C19H25FN4O2.C17H13FN2O3.C8H18N2/c1-4-23-9-7-15(8-10-23)22(2)19(25)24-12-17(21-13-24)14-5-6-16(20)18(11-14)26-3;1-22-16-9-12(7-8-14(16)18)15-10-20(11-19-15)17(21)23-13-5-3-2-4-6-13;1-3-10-6-4-8(9-2)5-7-10/h5-6,11-13,15H,4,7-10H2,1-3H3;2-11H,1H3;8-9H,3-7H2,1-2H3
InChIKeyFTENLNMWNOGUGZ-UHFFFAOYSA-N
MW814.98 g/mol
LogP7.52
Rot. Bonds9

About 1-ethyl-N-methylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide;phenyl 4-(4-fluoro-3-methoxyphenyl)imidazole-1-carboxylate

1-ethyl-N-methylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide;phenyl 4-(4-fluoro-3-methoxyphenyl)imidazole-1-carboxylate (PubChem CID 158134518) has the molecular formula C44H56F2N8O5 and a molecular weight of 814.98 g/mol. Its IUPAC name is 1-ethyl-N-methylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide;phenyl 4-(4-fluoro-3-methoxyphenyl)imidazole-1-carboxylate.

Molecular Properties

Compound Name1-ethyl-N-methylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide;phenyl 4-(4-fluoro-3-methoxyphenyl)imidazole-1-carboxylate
PubChem CID158134518
Molecular FormulaC44H56F2N8O5
Molecular Weight814.98 g/mol
Exact Mass814.43
IUPAC Name1-ethyl-N-methylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide;phenyl 4-(4-fluoro-3-methoxyphenyl)imidazole-1-carboxylate
SMILESCCN1CCC(N(C)C(=O)n2cnc(-c3ccc(F)c(OC)c3)c2)CC1.CCN1CCC(NC)CC1.COc1cc(-c2cn(C(=O)Oc3ccccc3)cn2)ccc1F
InChIInChI=1S/C19H25FN4O2.C17H13FN2O3.C8H18N2/c1-4-23-9-7-15(8-10-23)22(2)19(25)24-12-17(21-13-24)14-5-6-16(20)18(11-14)26-3;1-22-16-9-12(7-8-14(16)18)15-10-20(11-19-15)17(21)23-13-5-3-2-4-6-13;1-3-10-6-4-8(9-2)5-7-10/h5-6,11-13,15H,4,7-10H2,1-3H3;2-11H,1H3;8-9H,3-7H2,1-2H3
InChIKeyFTENLNMWNOGUGZ-UHFFFAOYSA-N
XLogP7.52
TPSA119.22 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500814.98
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide;phenyl 4-(4-fluoro-3-methoxyphenyl)imidazole-1-carboxylate?
The IUPAC name of 1-ethyl-N-methylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide;phenyl 4-(4-fluoro-3-methoxyphenyl)imidazole-1-carboxylate (CID 158134518) is 1-ethyl-N-methylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide;phenyl 4-(4-fluoro-3-methoxyphenyl)imidazole-1-carboxylate.
What is the SMILES notation for 1-ethyl-N-methylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide;phenyl 4-(4-fluoro-3-methoxyphenyl)imidazole-1-carboxylate?
The canonical SMILES for 1-ethyl-N-methylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide;phenyl 4-(4-fluoro-3-methoxyphenyl)imidazole-1-carboxylate is CCN1CCC(N(C)C(=O)n2cnc(-c3ccc(F)c(OC)c3)c2)CC1.CCN1CCC(NC)CC1.COc1cc(-c2cn(C(=O)Oc3ccccc3)cn2)ccc1F.
What is the InChIKey of 1-ethyl-N-methylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide;phenyl 4-(4-fluoro-3-methoxyphenyl)imidazole-1-carboxylate?
The InChIKey is FTENLNMWNOGUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2.C17H13FN2O3.C8H18N2/c1-4-23-9-7-15(8-10-23)22(2)19(25)24-12-17(21-13-24)14-5-6-16(20)18(11-14)26-3;1-22-16-9-12(7-8-14(16)18)15-10-20(11-19-15)17(21)23-13-5-3-2-4-6-13;1-3-10-6-4-8(9-2)5-7-10/h5-6,11-13,15H,4,7-10H2,1-3H3;2-11H,1H3;8-9H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-N-methylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide;phenyl 4-(4-fluoro-3-methoxyphenyl)imidazole-1-carboxylate?
1-ethyl-N-methylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide;phenyl 4-(4-fluoro-3-methoxyphenyl)imidazole-1-carboxylate has a molecular weight of 814.98 g/mol, XLogP of 7.52, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methylpiperidin-4-amine;N-(1-ethylpiperidin-4-yl)-4-(4-fluoro-3-methoxyphenyl)-N-methylimidazole-1-carboxamide;phenyl 4-(4-fluoro-3-methoxyphenyl)imidazole-1-carboxylate is sourced from PubChem (CID 158134518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).