(2R)-N-tert-butyl-2-(4-chlorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide

C29H36ClN3O3 — CID 11677875

IUPAC(2R)-N-tert-butyl-2-(4-chlorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide
SMILESCC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C29H36ClN3O3/c1-17(2)14-23-26(34)31-24(21-15-19-8-6-7-9-20(19)16-21)28(36)33(23)25(27(35)32-29(3,4)5)18-10-12-22(30)13-11-18/h6-13,17,21,23-25H,14-16H2,1-5H3,(H,31,34)(H,32,35)/t23-,24-,25-/m1/s1
InChIKeyNBLNEUUINRCKEN-UBFVSLLYSA-N
MW510.08 g/mol
LogP4.45
Rot. Bonds6

About (2R)-N-tert-butyl-2-(4-chlorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide

(2R)-N-tert-butyl-2-(4-chlorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide (PubChem CID 11677875) has the molecular formula C29H36ClN3O3 and a molecular weight of 510.08 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-(4-chlorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-(4-chlorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide
PubChem CID11677875
Molecular FormulaC29H36ClN3O3
Molecular Weight510.08 g/mol
Exact Mass509.24
IUPAC Name(2R)-N-tert-butyl-2-(4-chlorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide
SMILESCC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C29H36ClN3O3/c1-17(2)14-23-26(34)31-24(21-15-19-8-6-7-9-20(19)16-21)28(36)33(23)25(27(35)32-29(3,4)5)18-10-12-22(30)13-11-18/h6-13,17,21,23-25H,14-16H2,1-5H3,(H,31,34)(H,32,35)/t23-,24-,25-/m1/s1
InChIKeyNBLNEUUINRCKEN-UBFVSLLYSA-N
XLogP4.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.08
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-tert-butyl-2-(4-chlorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide with MolForge

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Related Compounds

(2~{s})-~{n}-[[2-(Aminomethyl)-5-Chloranyl-Phenyl]methyl]-1-[(2~{r})-2-Azanyl-3-Cyclohexyl-Propanoyl]pyrrolidine-2-Carboxamide
CID 129012068
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide
CID 6918854
(2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-isobutyl-2,5-dioxopiperazin-1-yl]-N,N-dimethylethanamide
CID 11465834
(3R,6R)-1-[(1R)-2-(azetidin-1-yl)-1-(2,4-difluorophenyl)-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 11569527
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide
CID 11590596
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methylacetamide
CID 11662784
N-[(1S)-1-[2-[1-[(3S,4R)-1-tert-butyl-4-(4-chloro-2-fluorophenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propyl]acetamide
CID 44448660
N-((1S)-3-(4-(2-(4-chlorophenyl)-N-ethylacetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590633
(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45263511
(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45263512
(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-prop-2-enylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45263515
(1S)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45263516

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-(4-chlorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide?
The IUPAC name of (2R)-N-tert-butyl-2-(4-chlorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide (CID 11677875) is (2R)-N-tert-butyl-2-(4-chlorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-(4-chlorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide?
The canonical SMILES for (2R)-N-tert-butyl-2-(4-chlorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide is CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-tert-butyl-2-(4-chlorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide?
The InChIKey is NBLNEUUINRCKEN-UBFVSLLYSA-N. The full InChI is InChI=1S/C29H36ClN3O3/c1-17(2)14-23-26(34)31-24(21-15-19-8-6-7-9-20(19)16-21)28(36)33(23)25(27(35)32-29(3,4)5)18-10-12-22(30)13-11-18/h6-13,17,21,23-25H,14-16H2,1-5H3,(H,31,34)(H,32,35)/t23-,24-,25-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-(4-chlorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide?
(2R)-N-tert-butyl-2-(4-chlorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide has a molecular weight of 510.08 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-(4-chlorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide is sourced from PubChem (CID 11677875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).