4-benzyl-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-3H-indol-2-yl]piperidine-1-carboxamide

C27H33N3O4 — CID 167657416

IUPAC4-benzyl-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-3H-indol-2-yl]piperidine-1-carboxamide
SMILESCOc1ccc(C2CCOCC2)c2c1CC(NC(=O)N1CCC(O)(Cc3ccccc3)CC1)=N2
InChIInChI=1S/C27H33N3O4/c1-33-23-8-7-21(20-9-15-34-16-10-20)25-22(23)17-24(28-25)29-26(31)30-13-11-27(32,12-14-30)18-19-5-3-2-4-6-19/h2-8,20,32H,9-18H2,1H3,(H,28,29,31)
InChIKeyRLQYEDXCLHILAR-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.95
Rot. Bonds4

About 4-benzyl-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-3H-indol-2-yl]piperidine-1-carboxamide

4-benzyl-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-3H-indol-2-yl]piperidine-1-carboxamide (PubChem CID 167657416) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is 4-benzyl-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-3H-indol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-3H-indol-2-yl]piperidine-1-carboxamide
PubChem CID167657416
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC Name4-benzyl-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-3H-indol-2-yl]piperidine-1-carboxamide
SMILESCOc1ccc(C2CCOCC2)c2c1CC(NC(=O)N1CCC(O)(Cc3ccccc3)CC1)=N2
InChIInChI=1S/C27H33N3O4/c1-33-23-8-7-21(20-9-15-34-16-10-20)25-22(23)17-24(28-25)29-26(31)30-13-11-27(32,12-14-30)18-19-5-3-2-4-6-19/h2-8,20,32H,9-18H2,1H3,(H,28,29,31)
InChIKeyRLQYEDXCLHILAR-UHFFFAOYSA-N
XLogP3.95
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-3H-indol-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-benzyl-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-3H-indol-2-yl]piperidine-1-carboxamide (CID 167657416) is 4-benzyl-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-3H-indol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-benzyl-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-3H-indol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-benzyl-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-3H-indol-2-yl]piperidine-1-carboxamide is COc1ccc(C2CCOCC2)c2c1CC(NC(=O)N1CCC(O)(Cc3ccccc3)CC1)=N2.
What is the InChIKey of 4-benzyl-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-3H-indol-2-yl]piperidine-1-carboxamide?
The InChIKey is RLQYEDXCLHILAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-33-23-8-7-21(20-9-15-34-16-10-20)25-22(23)17-24(28-25)29-26(31)30-13-11-27(32,12-14-30)18-19-5-3-2-4-6-19/h2-8,20,32H,9-18H2,1H3,(H,28,29,31).
What are the key properties of 4-benzyl-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-3H-indol-2-yl]piperidine-1-carboxamide?
4-benzyl-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-3H-indol-2-yl]piperidine-1-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-3H-indol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 167657416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).