6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid

C26H29N3O5 — CID 146663928

IUPAC6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid
SMILESCCN(C(=O)N1CCC(C(=O)c2ccc3cc(C(=O)O)n(C)c3c2)CC1)c1ccc(OC)cc1
InChIInChI=1S/C26H29N3O5/c1-4-29(20-7-9-21(34-3)10-8-20)26(33)28-13-11-17(12-14-28)24(30)19-6-5-18-15-23(25(31)32)27(2)22(18)16-19/h5-10,15-17H,4,11-14H2,1-3H3,(H,31,32)
InChIKeyIIMAZMNSHUIJDI-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.43
Rot. Bonds6

About 6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid

6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid (PubChem CID 146663928) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is 6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid
PubChem CID146663928
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Name6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid
SMILESCCN(C(=O)N1CCC(C(=O)c2ccc3cc(C(=O)O)n(C)c3c2)CC1)c1ccc(OC)cc1
InChIInChI=1S/C26H29N3O5/c1-4-29(20-7-9-21(34-3)10-8-20)26(33)28-13-11-17(12-14-28)24(30)19-6-5-18-15-23(25(31)32)27(2)22(18)16-19/h5-10,15-17H,4,11-14H2,1-3H3,(H,31,32)
InChIKeyIIMAZMNSHUIJDI-UHFFFAOYSA-N
XLogP4.43
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid?
The IUPAC name of 6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid (CID 146663928) is 6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid.
What is the SMILES notation for 6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid?
The canonical SMILES for 6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid is CCN(C(=O)N1CCC(C(=O)c2ccc3cc(C(=O)O)n(C)c3c2)CC1)c1ccc(OC)cc1.
What is the InChIKey of 6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid?
The InChIKey is IIMAZMNSHUIJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-4-29(20-7-9-21(34-3)10-8-20)26(33)28-13-11-17(12-14-28)24(30)19-6-5-18-15-23(25(31)32)27(2)22(18)16-19/h5-10,15-17H,4,11-14H2,1-3H3,(H,31,32).
What are the key properties of 6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid?
6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid has a molecular weight of 463.53 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[ethyl-(4-methoxyphenyl)carbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid is sourced from PubChem (CID 146663928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).