tert-butyl 2-[2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indol-1-yl]acetate

C23H33N3O3 — CID 86628722

IUPACtert-butyl 2-[2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indol-1-yl]acetate
SMILESCC(C)N1CCC(NC(=O)c2cc3ccccc3n2CC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H33N3O3/c1-16(2)25-12-10-18(11-13-25)24-22(28)20-14-17-8-6-7-9-19(17)26(20)15-21(27)29-23(3,4)5/h6-9,14,16,18H,10-13,15H2,1-5H3,(H,24,28)
InChIKeyBLGKZXNIJZYYRI-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.59
Rot. Bonds5

About tert-butyl 2-[2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indol-1-yl]acetate

tert-butyl 2-[2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indol-1-yl]acetate (PubChem CID 86628722) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is tert-butyl 2-[2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indol-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indol-1-yl]acetate
PubChem CID86628722
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Nametert-butyl 2-[2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indol-1-yl]acetate
SMILESCC(C)N1CCC(NC(=O)c2cc3ccccc3n2CC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H33N3O3/c1-16(2)25-12-10-18(11-13-25)24-22(28)20-14-17-8-6-7-9-19(17)26(20)15-21(27)29-23(3,4)5/h6-9,14,16,18H,10-13,15H2,1-5H3,(H,24,28)
InChIKeyBLGKZXNIJZYYRI-UHFFFAOYSA-N
XLogP3.59
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indol-1-yl]acetate?
The IUPAC name of tert-butyl 2-[2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indol-1-yl]acetate (CID 86628722) is tert-butyl 2-[2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indol-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indol-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indol-1-yl]acetate is CC(C)N1CCC(NC(=O)c2cc3ccccc3n2CC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 2-[2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indol-1-yl]acetate?
The InChIKey is BLGKZXNIJZYYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-16(2)25-12-10-18(11-13-25)24-22(28)20-14-17-8-6-7-9-19(17)26(20)15-21(27)29-23(3,4)5/h6-9,14,16,18H,10-13,15H2,1-5H3,(H,24,28).
What are the key properties of tert-butyl 2-[2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indol-1-yl]acetate?
tert-butyl 2-[2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indol-1-yl]acetate has a molecular weight of 399.54 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indol-1-yl]acetate is sourced from PubChem (CID 86628722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).