1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-4-propan-2-ylpiperazine-2,3-dione

C25H36N4O3 — CID 53135457

IUPAC1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-4-propan-2-ylpiperazine-2,3-dione
SMILESCC(C)N1CCN(Cc2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2)C(=O)C1=O
InChIInChI=1S/C25H36N4O3/c1-19(2)29-17-16-28(24(31)25(29)32)18-20-8-10-21(11-9-20)23(30)27-14-12-26(13-15-27)22-6-4-3-5-7-22/h8-11,19,22H,3-7,12-18H2,1-2H3
InChIKeyGFKQYJUNQHSJRO-UHFFFAOYSA-N
MW440.59 g/mol
LogP2.36
Rot. Bonds5

About 1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-4-propan-2-ylpiperazine-2,3-dione

1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-4-propan-2-ylpiperazine-2,3-dione (PubChem CID 53135457) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is 1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-4-propan-2-ylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-4-propan-2-ylpiperazine-2,3-dione
PubChem CID53135457
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC Name1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-4-propan-2-ylpiperazine-2,3-dione
SMILESCC(C)N1CCN(Cc2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2)C(=O)C1=O
InChIInChI=1S/C25H36N4O3/c1-19(2)29-17-16-28(24(31)25(29)32)18-20-8-10-21(11-9-20)23(30)27-14-12-26(13-15-27)22-6-4-3-5-7-22/h8-11,19,22H,3-7,12-18H2,1-2H3
InChIKeyGFKQYJUNQHSJRO-UHFFFAOYSA-N
XLogP2.36
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-4-propan-2-ylpiperazine-2,3-dione with MolForge

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Related Compounds

1-propan-2-yl-4-[[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]methyl]piperazine-2,3-dione
CID 53135459
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-[(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 53135397
[4-(bromomethyl)phenyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 102851595
1-cyclopentyl-4-[[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]methyl]piperazine-2,3-dione
CID 95092851
(4-cyclobutyl-1,4-diazepan-1-yl)-(4-ethylphenyl)methanone
CID 131702217
1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-3,6,7-trimethylquinoxalin-2-one
CID 46324746
(4-cyclohexylpiperazin-1-yl)-(4-propoxyphenyl)methanone
CID 17249054
(4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 113074934
5-benzyl-2-(4-cyclohexylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 20964689
(4-cyclopropylpiperazin-1-yl)-[4-(1-hydroxy-2-methylpropyl)phenyl]methanone
CID 24781527

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-4-propan-2-ylpiperazine-2,3-dione?
The IUPAC name of 1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-4-propan-2-ylpiperazine-2,3-dione (CID 53135457) is 1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-4-propan-2-ylpiperazine-2,3-dione.
What is the SMILES notation for 1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-4-propan-2-ylpiperazine-2,3-dione?
The canonical SMILES for 1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-4-propan-2-ylpiperazine-2,3-dione is CC(C)N1CCN(Cc2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cc2)C(=O)C1=O.
What is the InChIKey of 1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-4-propan-2-ylpiperazine-2,3-dione?
The InChIKey is GFKQYJUNQHSJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-19(2)29-17-16-28(24(31)25(29)32)18-20-8-10-21(11-9-20)23(30)27-14-12-26(13-15-27)22-6-4-3-5-7-22/h8-11,19,22H,3-7,12-18H2,1-2H3.
What are the key properties of 1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-4-propan-2-ylpiperazine-2,3-dione?
1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-4-propan-2-ylpiperazine-2,3-dione has a molecular weight of 440.59 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methyl]-4-propan-2-ylpiperazine-2,3-dione is sourced from PubChem (CID 53135457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).