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

C33H45N5O2 — CID 156907578

IUPAC5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide
SMILESCc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2c(-c3ccccc3)ccn2c1C(C)N1CCC(N(C)C)CC1
InChIInChI=1S/C33H45N5O2/c1-21-18-22(2)35-33(40)29(21)20-34-32(39)28-19-30-27(25-10-8-7-9-11-25)14-17-38(30)31(23(28)3)24(4)37-15-12-26(13-16-37)36(5)6/h7-11,14,17,19,21-22,24,26,29H,12-13,15-16,18,20H2,1-6H3,(H,34,39)(H,35,40)
InChIKeyDAFCOHJVKKMLIL-UHFFFAOYSA-N
MW543.76 g/mol
LogP4.89
Rot. Bonds7

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

5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide (PubChem CID 156907578) has the molecular formula C33H45N5O2 and a molecular weight of 543.76 g/mol. Its IUPAC name is 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide.

Molecular Properties

Compound Name5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide
PubChem CID156907578
Molecular FormulaC33H45N5O2
Molecular Weight543.76 g/mol
Exact Mass543.36
IUPAC Name5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide
SMILESCc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2c(-c3ccccc3)ccn2c1C(C)N1CCC(N(C)C)CC1
InChIInChI=1S/C33H45N5O2/c1-21-18-22(2)35-33(40)29(21)20-34-32(39)28-19-30-27(25-10-8-7-9-11-25)14-17-38(30)31(23(28)3)24(4)37-15-12-26(13-16-37)36(5)6/h7-11,14,17,19,21-22,24,26,29H,12-13,15-16,18,20H2,1-6H3,(H,34,39)(H,35,40)
InChIKeyDAFCOHJVKKMLIL-UHFFFAOYSA-N
XLogP4.89
TPSA69.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.76
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide?
The IUPAC name of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide (CID 156907578) is 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide.
What is the SMILES notation for 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide?
The canonical SMILES for 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide is Cc1c(C(=O)NCC2C(=O)NC(C)CC2C)cc2c(-c3ccccc3)ccn2c1C(C)N1CCC(N(C)C)CC1.
What is the InChIKey of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide?
The InChIKey is DAFCOHJVKKMLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N5O2/c1-21-18-22(2)35-33(40)29(21)20-34-32(39)28-19-30-27(25-10-8-7-9-11-25)14-17-38(30)31(23(28)3)24(4)37-15-12-26(13-16-37)36(5)6/h7-11,14,17,19,21-22,24,26,29H,12-13,15-16,18,20H2,1-6H3,(H,34,39)(H,35,40).
What are the key properties of 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide?
5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide has a molecular weight of 543.76 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-methyl-1-phenylindolizine-7-carboxamide is sourced from PubChem (CID 156907578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).