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

C27H31F2N3O3 — CID 156907469

IUPAC5-[1-[(3,5-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methylindolizine-7-carboxamide
SMILESCc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cccn2c1C(C)OCc1cc(F)cc(F)c1
InChIInChI=1S/C27H31F2N3O3/c1-15-8-16(2)31-27(34)24(15)13-30-26(33)23-12-22-6-5-7-32(22)25(17(23)3)18(4)35-14-19-9-20(28)11-21(29)10-19/h5-7,9-12,15-16,18,24H,8,13-14H2,1-4H3,(H,30,33)(H,31,34)
InChIKeyIYPJGQWYLINMEC-UHFFFAOYSA-N
MW483.56 g/mol
LogP4.69
Rot. Bonds7

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

5-[1-[(3,5-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methylindolizine-7-carboxamide (PubChem CID 156907469) has the molecular formula C27H31F2N3O3 and a molecular weight of 483.56 g/mol. Its IUPAC name is 5-[1-[(3,5-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methylindolizine-7-carboxamide.

Molecular Properties

Compound Name5-[1-[(3,5-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methylindolizine-7-carboxamide
PubChem CID156907469
Molecular FormulaC27H31F2N3O3
Molecular Weight483.56 g/mol
Exact Mass483.23
IUPAC Name5-[1-[(3,5-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methylindolizine-7-carboxamide
SMILESCc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cccn2c1C(C)OCc1cc(F)cc(F)c1
InChIInChI=1S/C27H31F2N3O3/c1-15-8-16(2)31-27(34)24(15)13-30-26(33)23-12-22-6-5-7-32(22)25(17(23)3)18(4)35-14-19-9-20(28)11-21(29)10-19/h5-7,9-12,15-16,18,24H,8,13-14H2,1-4H3,(H,30,33)(H,31,34)
InChIKeyIYPJGQWYLINMEC-UHFFFAOYSA-N
XLogP4.69
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3,5-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methylindolizine-7-carboxamide?
The IUPAC name of 5-[1-[(3,5-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methylindolizine-7-carboxamide (CID 156907469) is 5-[1-[(3,5-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methylindolizine-7-carboxamide.
What is the SMILES notation for 5-[1-[(3,5-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methylindolizine-7-carboxamide?
The canonical SMILES for 5-[1-[(3,5-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methylindolizine-7-carboxamide is Cc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cccn2c1C(C)OCc1cc(F)cc(F)c1.
What is the InChIKey of 5-[1-[(3,5-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methylindolizine-7-carboxamide?
The InChIKey is IYPJGQWYLINMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N3O3/c1-15-8-16(2)31-27(34)24(15)13-30-26(33)23-12-22-6-5-7-32(22)25(17(23)3)18(4)35-14-19-9-20(28)11-21(29)10-19/h5-7,9-12,15-16,18,24H,8,13-14H2,1-4H3,(H,30,33)(H,31,34).
What are the key properties of 5-[1-[(3,5-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methylindolizine-7-carboxamide?
5-[1-[(3,5-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methylindolizine-7-carboxamide has a molecular weight of 483.56 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3,5-difluorophenyl)methoxy]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methylindolizine-7-carboxamide is sourced from PubChem (CID 156907469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).