(3R)-3-propan-2-yl-4-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperazin-2-one

C20H27N3O2 — CID 97120229

IUPAC(3R)-3-propan-2-yl-4-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperazin-2-one
SMILESCc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCNC(=O)[C@H]1C(C)C
InChIInChI=1S/C20H27N3O2/c1-11(2)19-20(25)21-8-9-23(19)16(24)10-15-14(5)22-18-13(4)7-6-12(3)17(15)18/h6-7,11,19,22H,8-10H2,1-5H3,(H,21,25)/t19-/m1/s1
InChIKeyONHCBDFFKUFURQ-LJQANCHMSA-N
MW341.46 g/mol
LogP2.62
Rot. Bonds3

About (3R)-3-propan-2-yl-4-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperazin-2-one

(3R)-3-propan-2-yl-4-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperazin-2-one (PubChem CID 97120229) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (3R)-3-propan-2-yl-4-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-propan-2-yl-4-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperazin-2-one
PubChem CID97120229
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(3R)-3-propan-2-yl-4-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperazin-2-one
SMILESCc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCNC(=O)[C@H]1C(C)C
InChIInChI=1S/C20H27N3O2/c1-11(2)19-20(25)21-8-9-23(19)16(24)10-15-14(5)22-18-13(4)7-6-12(3)17(15)18/h6-7,11,19,22H,8-10H2,1-5H3,(H,21,25)/t19-/m1/s1
InChIKeyONHCBDFFKUFURQ-LJQANCHMSA-N
XLogP2.62
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-3-propan-2-yl-4-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-5-[3-oxo-3-(3-oxo-2-propan-2-ylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione
CID 154859139
N-(5-chloro-2-methylphenyl)-3-oxo-3-[(2S)-3-oxo-2-propan-2-ylpiperazin-1-yl]propanamide
CID 95128318
1-[2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 70724365
4-[2-(6-chloro-3-pyridinyl)acetyl]-3-propan-2-ylpiperazin-2-one
CID 71876682
1-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 72850412
4-pentanoyl-3-propan-2-ylpiperazin-2-one
CID 110873304
4-(3-amino-3-phenylpropanoyl)-3-propan-2-ylpiperazin-2-one
CID 119951226
(3R)-4-[3-(2,5-difluorophenyl)propanoyl]-3-propan-2-ylpiperazin-2-one
CID 95324238
1-[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 154565775
1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 97130924
4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide
CID 166199318
1-[2-(trifluoromethyl)morpholin-4-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone
CID 56870900

Frequently Asked Questions

What is the IUPAC name of (3R)-3-propan-2-yl-4-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperazin-2-one?
The IUPAC name of (3R)-3-propan-2-yl-4-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperazin-2-one (CID 97120229) is (3R)-3-propan-2-yl-4-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-propan-2-yl-4-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperazin-2-one?
The canonical SMILES for (3R)-3-propan-2-yl-4-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperazin-2-one is Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N1CCNC(=O)[C@H]1C(C)C.
What is the InChIKey of (3R)-3-propan-2-yl-4-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperazin-2-one?
The InChIKey is ONHCBDFFKUFURQ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-11(2)19-20(25)21-8-9-23(19)16(24)10-15-14(5)22-18-13(4)7-6-12(3)17(15)18/h6-7,11,19,22H,8-10H2,1-5H3,(H,21,25)/t19-/m1/s1.
What are the key properties of (3R)-3-propan-2-yl-4-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperazin-2-one?
(3R)-3-propan-2-yl-4-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperazin-2-one has a molecular weight of 341.46 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-propan-2-yl-4-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 97120229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).