2-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

C24H27N5O3 — CID 174280777

IUPAC2-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
SMILESNCC(=O)N1CCC(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)CC1
InChIInChI=1S/C24H27N5O3/c25-14-21(31)29-8-5-15(6-9-29)10-20(30)27-18-4-3-16-12-24(13-17(16)11-18)19-2-1-7-26-22(19)28-23(24)32/h1-4,7,11,15H,5-6,8-10,12-14,25H2,(H,27,30)(H,26,28,32)
InChIKeyMZYREJWTUNZXEL-UHFFFAOYSA-N
MW433.51 g/mol
LogP1.60
Rot. Bonds4

About 2-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

2-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (PubChem CID 174280777) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
PubChem CID174280777
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name2-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
SMILESNCC(=O)N1CCC(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)CC1
InChIInChI=1S/C24H27N5O3/c25-14-21(31)29-8-5-15(6-9-29)10-20(30)27-18-4-3-16-12-24(13-17(16)11-18)19-2-1-7-26-22(19)28-23(24)32/h1-4,7,11,15H,5-6,8-10,12-14,25H2,(H,27,30)(H,26,28,32)
InChIKeyMZYREJWTUNZXEL-UHFFFAOYSA-N
XLogP1.60
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The IUPAC name of 2-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide (CID 174280777) is 2-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide.
What is the SMILES notation for 2-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The canonical SMILES for 2-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide is NCC(=O)N1CCC(CC(=O)Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)CC1.
What is the InChIKey of 2-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
The InChIKey is MZYREJWTUNZXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c25-14-21(31)29-8-5-15(6-9-29)10-20(30)27-18-4-3-16-12-24(13-17(16)11-18)19-2-1-7-26-22(19)28-23(24)32/h1-4,7,11,15H,5-6,8-10,12-14,25H2,(H,27,30)(H,26,28,32).
What are the key properties of 2-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide?
2-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide has a molecular weight of 433.51 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoacetyl)piperidin-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide is sourced from PubChem (CID 174280777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).