N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-phenylindolizine-7-carboxamide

C30H38N4O3 — CID 156907489

IUPACN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-phenylindolizine-7-carboxamide
SMILESCc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cc(-c3ccccc3)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C30H38N4O3/c1-19-14-20(2)32-30(36)27(19)17-31-29(35)26-16-25-15-24(23-8-6-5-7-9-23)18-34(25)28(21(26)3)22(4)33-10-12-37-13-11-33/h5-9,15-16,18-20,22,27H,10-14,17H2,1-4H3,(H,31,35)(H,32,36)
InChIKeyRFLOWTDWBQOVSA-UHFFFAOYSA-N
MW502.66 g/mol
LogP4.20
Rot. Bonds6

About N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-phenylindolizine-7-carboxamide

N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-phenylindolizine-7-carboxamide (PubChem CID 156907489) has the molecular formula C30H38N4O3 and a molecular weight of 502.66 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-phenylindolizine-7-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-phenylindolizine-7-carboxamide
PubChem CID156907489
Molecular FormulaC30H38N4O3
Molecular Weight502.66 g/mol
Exact Mass502.29
IUPAC NameN-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-phenylindolizine-7-carboxamide
SMILESCc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cc(-c3ccccc3)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C30H38N4O3/c1-19-14-20(2)32-30(36)27(19)17-31-29(35)26-16-25-15-24(23-8-6-5-7-9-23)18-34(25)28(21(26)3)22(4)33-10-12-37-13-11-33/h5-9,15-16,18-20,22,27H,10-14,17H2,1-4H3,(H,31,35)(H,32,36)
InChIKeyRFLOWTDWBQOVSA-UHFFFAOYSA-N
XLogP4.20
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.66
LogP ≤ 54.20
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]-6-methyl-5-(1-morpholin-4-ylethyl)-2-phenylindolizine-7-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-phenylindolizine-7-carboxamide (CID 156907489) is N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-phenylindolizine-7-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-phenylindolizine-7-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-phenylindolizine-7-carboxamide is Cc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2cc(-c3ccccc3)cn2c1C(C)N1CCOCC1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-phenylindolizine-7-carboxamide?
The InChIKey is RFLOWTDWBQOVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O3/c1-19-14-20(2)32-30(36)27(19)17-31-29(35)26-16-25-15-24(23-8-6-5-7-9-23)18-34(25)28(21(26)3)22(4)33-10-12-37-13-11-33/h5-9,15-16,18-20,22,27H,10-14,17H2,1-4H3,(H,31,35)(H,32,36).
What are the key properties of N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-phenylindolizine-7-carboxamide?
N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-phenylindolizine-7-carboxamide has a molecular weight of 502.66 g/mol, XLogP of 4.20, 6 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]-6-methyl-5-(1-morpholin-4-ylethyl)-2-phenylindolizine-7-carboxamide is sourced from PubChem (CID 156907489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).