1-cyclopentyl-4-[[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione

C23H31N3O3 — CID 95092851

IUPAC1-cyclopentyl-4-[[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione
SMILESC[C@@H]1CCCN(C(=O)c2ccc(CN3CCN(C4CCCC4)C(=O)C3=O)cc2)C1
InChIInChI=1S/C23H31N3O3/c1-17-5-4-12-24(15-17)21(27)19-10-8-18(9-11-19)16-25-13-14-26(23(29)22(25)28)20-6-2-3-7-20/h8-11,17,20H,2-7,12-16H2,1H3/t17-/m1/s1
InChIKeyQCXLZTPJQPMMPV-QGZVFWFLSA-N
MW397.52 g/mol
LogP2.67
Rot. Bonds4

About 1-cyclopentyl-4-[[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione

1-cyclopentyl-4-[[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione (PubChem CID 95092851) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-cyclopentyl-4-[[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione
PubChem CID95092851
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name1-cyclopentyl-4-[[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione
SMILESC[C@@H]1CCCN(C(=O)c2ccc(CN3CCN(C4CCCC4)C(=O)C3=O)cc2)C1
InChIInChI=1S/C23H31N3O3/c1-17-5-4-12-24(15-17)21(27)19-10-8-18(9-11-19)16-25-13-14-26(23(29)22(25)28)20-6-2-3-7-20/h8-11,17,20H,2-7,12-16H2,1H3/t17-/m1/s1
InChIKeyQCXLZTPJQPMMPV-QGZVFWFLSA-N
XLogP2.67
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-cyclopentyl-4-[[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione with MolForge

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Related Compounds

1-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]-4-propan-2-ylpiperazine-2,3-dione
CID 53135470
1-[[4-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]methyl]-4-propan-2-ylpiperazine-2,3-dione
CID 95092844
[4-(chloromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 43156245
2-[4-(3-methylpiperidine-1-carbonyl)phenyl]ethanethioamide
CID 82179236
1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-4-propan-2-ylpiperazine-2,3-dione
CID 53135457
[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 94022564
4-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 53009375
4-[(4-cyclopentyl-2,3-dioxopiperazin-1-yl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 95092853
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
2-(4-chlorophenyl)-N-[4-(3-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 45128141
[4-[(2-methylimidazol-1-yl)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 46774905

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione?
The IUPAC name of 1-cyclopentyl-4-[[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione (CID 95092851) is 1-cyclopentyl-4-[[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-cyclopentyl-4-[[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione?
The canonical SMILES for 1-cyclopentyl-4-[[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione is C[C@@H]1CCCN(C(=O)c2ccc(CN3CCN(C4CCCC4)C(=O)C3=O)cc2)C1.
What is the InChIKey of 1-cyclopentyl-4-[[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione?
The InChIKey is QCXLZTPJQPMMPV-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-17-5-4-12-24(15-17)21(27)19-10-8-18(9-11-19)16-25-13-14-26(23(29)22(25)28)20-6-2-3-7-20/h8-11,17,20H,2-7,12-16H2,1H3/t17-/m1/s1.
What are the key properties of 1-cyclopentyl-4-[[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione?
1-cyclopentyl-4-[[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione has a molecular weight of 397.52 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione is sourced from PubChem (CID 95092851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).