(3R)-3-butyl-4-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-1-methylpiperazin-2-one

C20H28N2O3 — CID 97118417

IUPAC(3R)-3-butyl-4-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-1-methylpiperazin-2-one
SMILESCCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cc2c(cc1OC)CCC2
InChIInChI=1S/C20H28N2O3/c1-4-5-9-17-20(24)21(2)10-11-22(17)19(23)16-12-14-7-6-8-15(14)13-18(16)25-3/h12-13,17H,4-11H2,1-3H3/t17-/m1/s1
InChIKeyBRASTQYDFGPGLB-QGZVFWFLSA-N
MW344.46 g/mol
LogP2.66
Rot. Bonds5

About (3R)-3-butyl-4-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-1-methylpiperazin-2-one

(3R)-3-butyl-4-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-1-methylpiperazin-2-one (PubChem CID 97118417) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is (3R)-3-butyl-4-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-3-butyl-4-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-1-methylpiperazin-2-one
PubChem CID97118417
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name(3R)-3-butyl-4-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-1-methylpiperazin-2-one
SMILESCCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cc2c(cc1OC)CCC2
InChIInChI=1S/C20H28N2O3/c1-4-5-9-17-20(24)21(2)10-11-22(17)19(23)16-12-14-7-6-8-15(14)13-18(16)25-3/h12-13,17H,4-11H2,1-3H3/t17-/m1/s1
InChIKeyBRASTQYDFGPGLB-QGZVFWFLSA-N
XLogP2.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-3-butyl-4-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-1-methylpiperazin-2-one with MolForge

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Related Compounds

3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one
CID 131897843
2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide
CID 70767118
methyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate
CID 97436839
3-butyl-1-methyl-4-(6-methyl-4-oxopyran-2-carbonyl)piperazin-2-one
CID 90647875
3-butyl-4-(4-ethyl-5-methylthiophene-3-carbonyl)-1-methylpiperazin-2-one
CID 70783669
N-[3-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-4-chlorophenyl]acetamide
CID 95122588
5-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
CID 72878704
(3S)-3-butyl-1-methyl-4-[4-(pyrrolidin-1-ylmethyl)benzoyl]piperazin-2-one
CID 97207797
4-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)-6-fluoro-1H-quinolin-2-one
CID 70724503
2-butyl-N-[(4-methoxyphenyl)methyl]-4-methyl-3-oxopiperazine-1-carboxamide
CID 70737300
(3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 96571377
3-butyl-1-methyl-4-[3-(1,2,4-triazol-4-yl)propanoyl]piperazin-2-one
CID 131927212

Frequently Asked Questions

What is the IUPAC name of (3R)-3-butyl-4-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-1-methylpiperazin-2-one?
The IUPAC name of (3R)-3-butyl-4-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-1-methylpiperazin-2-one (CID 97118417) is (3R)-3-butyl-4-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-1-methylpiperazin-2-one.
What is the SMILES notation for (3R)-3-butyl-4-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-1-methylpiperazin-2-one?
The canonical SMILES for (3R)-3-butyl-4-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-1-methylpiperazin-2-one is CCCC[C@@H]1C(=O)N(C)CCN1C(=O)c1cc2c(cc1OC)CCC2.
What is the InChIKey of (3R)-3-butyl-4-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-1-methylpiperazin-2-one?
The InChIKey is BRASTQYDFGPGLB-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-4-5-9-17-20(24)21(2)10-11-22(17)19(23)16-12-14-7-6-8-15(14)13-18(16)25-3/h12-13,17H,4-11H2,1-3H3/t17-/m1/s1.
What are the key properties of (3R)-3-butyl-4-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-1-methylpiperazin-2-one?
(3R)-3-butyl-4-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-1-methylpiperazin-2-one has a molecular weight of 344.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-butyl-4-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 97118417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).