2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-pyridin-2-ylacetamide

C27H34N4O3 — CID 71248152

IUPAC2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-pyridin-2-ylacetamide
SMILESCC(C)C[C@@H]1C(=O)NC(C2Cc3ccccc3C2)C(=O)N1C(C(=O)NC(C)C)c1ccccn1
InChIInChI=1S/C27H34N4O3/c1-16(2)13-22-25(32)30-23(20-14-18-9-5-6-10-19(18)15-20)27(34)31(22)24(26(33)29-17(3)4)21-11-7-8-12-28-21/h5-12,16-17,20,22-24H,13-15H2,1-4H3,(H,29,33)(H,30,32)/t22-,23?,24?/m1/s1
InChIKeyFXZNOPTZDJOVGC-ZKMFCFPVSA-N
MW462.59 g/mol
LogP2.80
Rot. Bonds7

About 2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-pyridin-2-ylacetamide

2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-pyridin-2-ylacetamide (PubChem CID 71248152) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is 2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-pyridin-2-ylacetamide
PubChem CID71248152
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-pyridin-2-ylacetamide
SMILESCC(C)C[C@@H]1C(=O)NC(C2Cc3ccccc3C2)C(=O)N1C(C(=O)NC(C)C)c1ccccn1
InChIInChI=1S/C27H34N4O3/c1-16(2)13-22-25(32)30-23(20-14-18-9-5-6-10-19(18)15-20)27(34)31(22)24(26(33)29-17(3)4)21-11-7-8-12-28-21/h5-12,16-17,20,22-24H,13-15H2,1-4H3,(H,29,33)(H,30,32)/t22-,23?,24?/m1/s1
InChIKeyFXZNOPTZDJOVGC-ZKMFCFPVSA-N
XLogP2.80
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-pyridin-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-pyridin-2-ylacetamide?
The IUPAC name of 2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-pyridin-2-ylacetamide (CID 71248152) is 2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-pyridin-2-ylacetamide?
The canonical SMILES for 2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-pyridin-2-ylacetamide is CC(C)C[C@@H]1C(=O)NC(C2Cc3ccccc3C2)C(=O)N1C(C(=O)NC(C)C)c1ccccn1.
What is the InChIKey of 2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-pyridin-2-ylacetamide?
The InChIKey is FXZNOPTZDJOVGC-ZKMFCFPVSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-16(2)13-22-25(32)30-23(20-14-18-9-5-6-10-19(18)15-20)27(34)31(22)24(26(33)29-17(3)4)21-11-7-8-12-28-21/h5-12,16-17,20,22-24H,13-15H2,1-4H3,(H,29,33)(H,30,32)/t22-,23?,24?/m1/s1.
What are the key properties of 2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-pyridin-2-ylacetamide?
2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-pyridin-2-ylacetamide has a molecular weight of 462.59 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-pyridin-2-ylacetamide is sourced from PubChem (CID 71248152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).