N-[3-[(2R,5R)-5-[1-(1H-indol-3-yl)ethyl]-3,6-dioxopiperazin-2-yl]propyl]acetamide

C19H24N4O3 — CID 54514745

IUPACN-[3-[(2R,5R)-5-[1-(1H-indol-3-yl)ethyl]-3,6-dioxopiperazin-2-yl]propyl]acetamide
SMILESCC(=O)NCCC[C@H]1NC(=O)[C@@H](C(C)c2c[nH]c3ccccc23)NC1=O
InChIInChI=1S/C19H24N4O3/c1-11(14-10-21-15-7-4-3-6-13(14)15)17-19(26)22-16(18(25)23-17)8-5-9-20-12(2)24/h3-4,6-7,10-11,16-17,21H,5,8-9H2,1-2H3,(H,20,24)(H,22,26)(H,23,25)/t11?,16-,17-/m1/s1
InChIKeyYLQFJCLLDFKHEU-YSGDOOFJSA-N
MW356.43 g/mol
LogP1.17
Rot. Bonds6

About N-[3-[(2R,5R)-5-[1-(1H-indol-3-yl)ethyl]-3,6-dioxopiperazin-2-yl]propyl]acetamide

N-[3-[(2R,5R)-5-[1-(1H-indol-3-yl)ethyl]-3,6-dioxopiperazin-2-yl]propyl]acetamide (PubChem CID 54514745) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[3-[(2R,5R)-5-[1-(1H-indol-3-yl)ethyl]-3,6-dioxopiperazin-2-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2R,5R)-5-[1-(1H-indol-3-yl)ethyl]-3,6-dioxopiperazin-2-yl]propyl]acetamide
PubChem CID54514745
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[3-[(2R,5R)-5-[1-(1H-indol-3-yl)ethyl]-3,6-dioxopiperazin-2-yl]propyl]acetamide
SMILESCC(=O)NCCC[C@H]1NC(=O)[C@@H](C(C)c2c[nH]c3ccccc23)NC1=O
InChIInChI=1S/C19H24N4O3/c1-11(14-10-21-15-7-4-3-6-13(14)15)17-19(26)22-16(18(25)23-17)8-5-9-20-12(2)24/h3-4,6-7,10-11,16-17,21H,5,8-9H2,1-2H3,(H,20,24)(H,22,26)(H,23,25)/t11?,16-,17-/m1/s1
InChIKeyYLQFJCLLDFKHEU-YSGDOOFJSA-N
XLogP1.17
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,5R)-5-[1-(1H-indol-3-yl)ethyl]-3,6-dioxopiperazin-2-yl]propyl]acetamide?
The IUPAC name of N-[3-[(2R,5R)-5-[1-(1H-indol-3-yl)ethyl]-3,6-dioxopiperazin-2-yl]propyl]acetamide (CID 54514745) is N-[3-[(2R,5R)-5-[1-(1H-indol-3-yl)ethyl]-3,6-dioxopiperazin-2-yl]propyl]acetamide.
What is the SMILES notation for N-[3-[(2R,5R)-5-[1-(1H-indol-3-yl)ethyl]-3,6-dioxopiperazin-2-yl]propyl]acetamide?
The canonical SMILES for N-[3-[(2R,5R)-5-[1-(1H-indol-3-yl)ethyl]-3,6-dioxopiperazin-2-yl]propyl]acetamide is CC(=O)NCCC[C@H]1NC(=O)[C@@H](C(C)c2c[nH]c3ccccc23)NC1=O.
What is the InChIKey of N-[3-[(2R,5R)-5-[1-(1H-indol-3-yl)ethyl]-3,6-dioxopiperazin-2-yl]propyl]acetamide?
The InChIKey is YLQFJCLLDFKHEU-YSGDOOFJSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-11(14-10-21-15-7-4-3-6-13(14)15)17-19(26)22-16(18(25)23-17)8-5-9-20-12(2)24/h3-4,6-7,10-11,16-17,21H,5,8-9H2,1-2H3,(H,20,24)(H,22,26)(H,23,25)/t11?,16-,17-/m1/s1.
What are the key properties of N-[3-[(2R,5R)-5-[1-(1H-indol-3-yl)ethyl]-3,6-dioxopiperazin-2-yl]propyl]acetamide?
N-[3-[(2R,5R)-5-[1-(1H-indol-3-yl)ethyl]-3,6-dioxopiperazin-2-yl]propyl]acetamide has a molecular weight of 356.43 g/mol, XLogP of 1.17, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,5R)-5-[1-(1H-indol-3-yl)ethyl]-3,6-dioxopiperazin-2-yl]propyl]acetamide is sourced from PubChem (CID 54514745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).