1,4-dicyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione

C23H32N2O3 — CID 4668489

IUPAC1,4-dicyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione
SMILESCOc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C23H32N2O3/c1-28-20-14-12-17(13-15-20)22-23(27)24(18-8-4-2-5-9-18)16-21(26)25(22)19-10-6-3-7-11-19/h12-15,18-19,22H,2-11,16H2,1H3
InChIKeyCFRDJOTUABLFKY-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.07
Rot. Bonds4

About 1,4-dicyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione

1,4-dicyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione (PubChem CID 4668489) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1,4-dicyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1,4-dicyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione
PubChem CID4668489
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name1,4-dicyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione
SMILESCOc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2C2CCCCC2)cc1
InChIInChI=1S/C23H32N2O3/c1-28-20-14-12-17(13-15-20)22-23(27)24(18-8-4-2-5-9-18)16-21(26)25(22)19-10-6-3-7-11-19/h12-15,18-19,22H,2-11,16H2,1H3
InChIKeyCFRDJOTUABLFKY-UHFFFAOYSA-N
XLogP4.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ambucetamide
CID 10616
1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 2877039
AC-90179
CID 9799308
(2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone
CID 99794612
2-(4-benzoylpiperazin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone
CID 49855513
1-[4-[(4-Methoxyphenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742519
1-[(4-Methoxyphenyl)acetyl]-4-methylpiperazine
CID 551032
Nocazine C
CID 56600878
(6Z)-1-benzoyl-4-(4-fluorobenzyl)-5-(4-methoxyphenyl)-5,8-dihydro-2H-1,4-diazocin-3-one
CID 16746512
2-(S)-Amino-4-(4-methoxy-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11255193
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 755425

Frequently Asked Questions

What is the IUPAC name of 1,4-dicyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione?
The IUPAC name of 1,4-dicyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione (CID 4668489) is 1,4-dicyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione.
What is the SMILES notation for 1,4-dicyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione?
The canonical SMILES for 1,4-dicyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione is COc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2C2CCCCC2)cc1.
What is the InChIKey of 1,4-dicyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione?
The InChIKey is CFRDJOTUABLFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-28-20-14-12-17(13-15-20)22-23(27)24(18-8-4-2-5-9-18)16-21(26)25(22)19-10-6-3-7-11-19/h12-15,18-19,22H,2-11,16H2,1H3.
What are the key properties of 1,4-dicyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione?
1,4-dicyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione has a molecular weight of 384.52 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dicyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione is sourced from PubChem (CID 4668489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).