(2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2-oxopiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide

C28H37N3O2 — CID 11525173

IUPAC(2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2-oxopiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide
SMILESCC(C)C[C@@H]1CN[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1
InChIInChI=1S/C28H37N3O2/c1-18(2)14-24-17-29-25(23-15-21-12-8-9-13-22(21)16-23)28(33)31(24)26(27(32)30-19(3)4)20-10-6-5-7-11-20/h5-13,18-19,23-26,29H,14-17H2,1-4H3,(H,30,32)/t24-,25-,26-/m1/s1
InChIKeyKGOZGZSRPNRJNO-TWJOJJKGSA-N
MW447.62 g/mol
LogP3.88
Rot. Bonds7

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

(2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2-oxopiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide (PubChem CID 11525173) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is (2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2-oxopiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name(2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2-oxopiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide
PubChem CID11525173
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC Name(2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2-oxopiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide
SMILESCC(C)C[C@@H]1CN[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1
InChIInChI=1S/C28H37N3O2/c1-18(2)14-24-17-29-25(23-15-21-12-8-9-13-22(21)16-23)28(33)31(24)26(27(32)30-19(3)4)20-10-6-5-7-11-20/h5-13,18-19,23-26,29H,14-17H2,1-4H3,(H,30,32)/t24-,25-,26-/m1/s1
InChIKeyKGOZGZSRPNRJNO-TWJOJJKGSA-N
XLogP3.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.62
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2-oxopiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide?
The IUPAC name of (2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2-oxopiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide (CID 11525173) is (2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2-oxopiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for (2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2-oxopiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for (2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2-oxopiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide is CC(C)C[C@@H]1CN[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccccc1.
What is the InChIKey of (2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2-oxopiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide?
The InChIKey is KGOZGZSRPNRJNO-TWJOJJKGSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-18(2)14-24-17-29-25(23-15-21-12-8-9-13-22(21)16-23)28(33)31(24)26(27(32)30-19(3)4)20-10-6-5-7-11-20/h5-13,18-19,23-26,29H,14-17H2,1-4H3,(H,30,32)/t24-,25-,26-/m1/s1.
What are the key properties of (2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2-oxopiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide?
(2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2-oxopiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide has a molecular weight of 447.62 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2-oxopiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 11525173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).