ethyl 2-[4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-1-yl]acetate

C29H38N4O5 — CID 162675046

IUPACethyl 2-[4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC([C@@H](C)n2c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c3ccccc32)CC1
InChIInChI=1S/C29H38N4O5/c1-6-38-26(34)17-32-13-11-21(12-14-32)19(3)33-20(4)27(22-9-7-8-10-24(22)33)29(36)30-16-23-25(37-5)15-18(2)31-28(23)35/h7-10,15,19,21H,6,11-14,16-17H2,1-5H3,(H,30,36)(H,31,35)/t19-/m1/s1
InChIKeyYGVXREOUIGGCLP-LJQANCHMSA-N
MW522.65 g/mol
LogP3.72
Rot. Bonds9

About ethyl 2-[4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-1-yl]acetate

ethyl 2-[4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-1-yl]acetate (PubChem CID 162675046) has the molecular formula C29H38N4O5 and a molecular weight of 522.65 g/mol. Its IUPAC name is ethyl 2-[4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-1-yl]acetate
PubChem CID162675046
Molecular FormulaC29H38N4O5
Molecular Weight522.65 g/mol
Exact Mass522.28
IUPAC Nameethyl 2-[4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC([C@@H](C)n2c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c3ccccc32)CC1
InChIInChI=1S/C29H38N4O5/c1-6-38-26(34)17-32-13-11-21(12-14-32)19(3)33-20(4)27(22-9-7-8-10-24(22)33)29(36)30-16-23-25(37-5)15-18(2)31-28(23)35/h7-10,15,19,21H,6,11-14,16-17H2,1-5H3,(H,30,36)(H,31,35)/t19-/m1/s1
InChIKeyYGVXREOUIGGCLP-LJQANCHMSA-N
XLogP3.72
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.65
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-1-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-1-yl]acetate (CID 162675046) is ethyl 2-[4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-1-yl]acetate is CCOC(=O)CN1CCC([C@@H](C)n2c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)c3ccccc32)CC1.
What is the InChIKey of ethyl 2-[4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-1-yl]acetate?
The InChIKey is YGVXREOUIGGCLP-LJQANCHMSA-N. The full InChI is InChI=1S/C29H38N4O5/c1-6-38-26(34)17-32-13-11-21(12-14-32)19(3)33-20(4)27(22-9-7-8-10-24(22)33)29(36)30-16-23-25(37-5)15-18(2)31-28(23)35/h7-10,15,19,21H,6,11-14,16-17H2,1-5H3,(H,30,36)(H,31,35)/t19-/m1/s1.
What are the key properties of ethyl 2-[4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-1-yl]acetate?
ethyl 2-[4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-1-yl]acetate has a molecular weight of 522.65 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidin-1-yl]acetate is sourced from PubChem (CID 162675046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).