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

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

2-(2-hydroxyethoxy)ethyl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate (PubChem CID 134502197) has the molecular formula C30H40N4O7 and a molecular weight of 568.67 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name	2-(2-hydroxyethoxy)ethyl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate
PubChem CID	134502197
Molecular Formula	C30H40N4O7
Molecular Weight	568.67 g/mol
Exact Mass	568.29
IUPAC Name	2-(2-hydroxyethoxy)ethyl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate
SMILES	COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(C(=O)OCCOCCO)CC2)c2ccccc12
InChI	InChI=1S/C30H40N4O7/c1-19-17-26(39-4)24(28(36)32-19)18-31-29(37)27-21(3)34(25-8-6-5-7-23(25)27)20(2)22-9-11-33(12-10-22)30(38)41-16-15-40-14-13-35/h5-8,17,20,22,35H,9-16,18H2,1-4H3,(H,31,37)(H,32,36)/t20-/m1/s1
InChIKey	UHKQCQJMJLFIAS-HXUWFJFHSA-N
XLogP	3.30
TPSA	135.12 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	11
Heavy Atoms	41
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.67
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate?

The IUPAC name of 2-(2-hydroxyethoxy)ethyl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate (CID 134502197) is 2-(2-hydroxyethoxy)ethyl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate.

What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate?

The canonical SMILES for 2-(2-hydroxyethoxy)ethyl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n([C@H](C)C2CCN(C(=O)OCCOCCO)CC2)c2ccccc12.

What is the InChIKey of 2-(2-hydroxyethoxy)ethyl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate?

The InChIKey is UHKQCQJMJLFIAS-HXUWFJFHSA-N. The full InChI is InChI=1S/C30H40N4O7/c1-19-17-26(39-4)24(28(36)32-19)18-31-29(37)27-21(3)34(25-8-6-5-7-23(25)27)20(2)22-9-11-33(12-10-22)30(38)41-16-15-40-14-13-35/h5-8,17,20,22,35H,9-16,18H2,1-4H3,(H,31,37)(H,32,36)/t20-/m1/s1.

What are the key properties of 2-(2-hydroxyethoxy)ethyl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate?

2-(2-hydroxyethoxy)ethyl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate has a molecular weight of 568.67 g/mol, XLogP of 3.30, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-hydroxyethoxy)ethyl 4-[(1R)-1-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 134502197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).