N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(3-methoxyphenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide

C28H35N3O4 — CID 156907470

IUPACN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(3-methoxyphenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide
SMILESCOc1cccc(COC(C)c2c(C)c(C(=O)NCC3C(=O)NC(C)CC3C)cc3cccn23)c1
InChIInChI=1S/C28H35N3O4/c1-17-12-18(2)30-28(33)25(17)15-29-27(32)24-14-22-9-7-11-31(22)26(19(24)3)20(4)35-16-21-8-6-10-23(13-21)34-5/h6-11,13-14,17-18,20,25H,12,15-16H2,1-5H3,(H,29,32)(H,30,33)
InChIKeyZMIYOKFYZHCHIC-UHFFFAOYSA-N
MW477.61 g/mol
LogP4.42
Rot. Bonds8

About N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(3-methoxyphenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(3-methoxyphenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide (PubChem CID 156907470) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(3-methoxyphenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(3-methoxyphenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide
PubChem CID156907470
Molecular FormulaC28H35N3O4
Molecular Weight477.61 g/mol
Exact Mass477.26
IUPAC NameN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(3-methoxyphenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide
SMILESCOc1cccc(COC(C)c2c(C)c(C(=O)NCC3C(=O)NC(C)CC3C)cc3cccn23)c1
InChIInChI=1S/C28H35N3O4/c1-17-12-18(2)30-28(33)25(17)15-29-27(32)24-14-22-9-7-11-31(22)26(19(24)3)20(4)35-16-21-8-6-10-23(13-21)34-5/h6-11,13-14,17-18,20,25H,12,15-16H2,1-5H3,(H,29,32)(H,30,33)
InChIKeyZMIYOKFYZHCHIC-UHFFFAOYSA-N
XLogP4.42
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(3-methoxyphenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(3-methoxyphenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide (CID 156907470) is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(3-methoxyphenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(3-methoxyphenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(3-methoxyphenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide is COc1cccc(COC(C)c2c(C)c(C(=O)NCC3C(=O)NC(C)CC3C)cc3cccn23)c1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(3-methoxyphenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide?
The InChIKey is ZMIYOKFYZHCHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-17-12-18(2)30-28(33)25(17)15-29-27(32)24-14-22-9-7-11-31(22)26(19(24)3)20(4)35-16-21-8-6-10-23(13-21)34-5/h6-11,13-14,17-18,20,25H,12,15-16H2,1-5H3,(H,29,32)(H,30,33).
What are the key properties of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(3-methoxyphenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(3-methoxyphenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(3-methoxyphenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide is sourced from PubChem (CID 156907470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).