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

C27H32FN3O3 — CID 156907466

IUPACN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(4-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide
SMILESCc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cccn2c1C(C)OCc1ccc(F)cc1
InChIInChI=1S/C27H32FN3O3/c1-16-12-17(2)30-27(33)24(16)14-29-26(32)23-13-22-6-5-11-31(22)25(18(23)3)19(4)34-15-20-7-9-21(28)10-8-20/h5-11,13,16-17,19,24H,12,14-15H2,1-4H3,(H,29,32)(H,30,33)
InChIKeyAGTODKMZOOEQRB-UHFFFAOYSA-N
MW465.57 g/mol
LogP4.56
Rot. Bonds7

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

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(4-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide (PubChem CID 156907466) has the molecular formula C27H32FN3O3 and a molecular weight of 465.57 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(4-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(4-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide
PubChem CID156907466
Molecular FormulaC27H32FN3O3
Molecular Weight465.57 g/mol
Exact Mass465.24
IUPAC NameN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(4-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide
SMILESCc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cccn2c1C(C)OCc1ccc(F)cc1
InChIInChI=1S/C27H32FN3O3/c1-16-12-17(2)30-27(33)24(16)14-29-26(32)23-13-22-6-5-11-31(22)25(18(23)3)19(4)34-15-20-7-9-21(28)10-8-20/h5-11,13,16-17,19,24H,12,14-15H2,1-4H3,(H,29,32)(H,30,33)
InChIKeyAGTODKMZOOEQRB-UHFFFAOYSA-N
XLogP4.56
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(4-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(4-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide (CID 156907466) is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(4-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(4-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(4-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide is Cc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cccn2c1C(C)OCc1ccc(F)cc1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(4-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide?
The InChIKey is AGTODKMZOOEQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O3/c1-16-12-17(2)30-27(33)24(16)14-29-26(32)23-13-22-6-5-11-31(22)25(18(23)3)19(4)34-15-20-7-9-21(28)10-8-20/h5-11,13,16-17,19,24H,12,14-15H2,1-4H3,(H,29,32)(H,30,33).
What are the key properties of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(4-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(4-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide has a molecular weight of 465.57 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[1-[(4-fluorophenyl)methoxy]ethyl]-6-methylindolizine-7-carboxamide is sourced from PubChem (CID 156907466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).