1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione

C23H34N2O4 — CID 20967627

IUPAC1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione
SMILESCCCN1C(=O)CN(C2CCCCC2)C(=O)C1c1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C23H34N2O4/c1-5-13-24-21(26)15-25(18-9-7-6-8-10-18)23(27)22(24)17-11-12-19(29-16(2)3)20(14-17)28-4/h11-12,14,16,18,22H,5-10,13,15H2,1-4H3
InChIKeyRIXQKQBOIAJMKT-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.94
Rot. Bonds7

About 1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione

1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione (PubChem CID 20967627) has the molecular formula C23H34N2O4 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione
PubChem CID20967627
Molecular FormulaC23H34N2O4
Molecular Weight402.54 g/mol
Exact Mass402.25
IUPAC Name1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione
SMILESCCCN1C(=O)CN(C2CCCCC2)C(=O)C1c1ccc(OC(C)C)c(OC)c1
InChIInChI=1S/C23H34N2O4/c1-5-13-24-21(26)15-25(18-9-7-6-8-10-18)23(27)22(24)17-11-12-19(29-16(2)3)20(14-17)28-4/h11-12,14,16,18,22H,5-10,13,15H2,1-4H3
InChIKeyRIXQKQBOIAJMKT-UHFFFAOYSA-N
XLogP3.94
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione with MolForge

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Related Compounds

RA Vii
CID 3034401
1,4,9-Triazaspiro(5.5)undecane-2,5-dione, 1-butyl-3-(cyclohexylmethyl)-9-((2,3-dihydro-1,4-benzodioxin-6-yl)methyl)-
CID 491774
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-piperidinecarboxamide
CID 3238551
Act-335827
CID 54765113
N-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 5302342
24-Methoxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
CID 329495
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[(3,4-dimethoxyphenyl)formamido]acetamide
CID 23644770
1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
CID 10673644
N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 155524425
3,4-diethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 2097235
3,4-dimethoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 2105606
3,4-dimethoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 5171909

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione (CID 20967627) is 1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione is CCCN1C(=O)CN(C2CCCCC2)C(=O)C1c1ccc(OC(C)C)c(OC)c1.
What is the InChIKey of 1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione?
The InChIKey is RIXQKQBOIAJMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O4/c1-5-13-24-21(26)15-25(18-9-7-6-8-10-18)23(27)22(24)17-11-12-19(29-16(2)3)20(14-17)28-4/h11-12,14,16,18,22H,5-10,13,15H2,1-4H3.
What are the key properties of 1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione?
1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione has a molecular weight of 402.54 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-methoxy-4-propan-2-yloxyphenyl)-4-propylpiperazine-2,5-dione is sourced from PubChem (CID 20967627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).