1-cyclopentyl-3-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-2,5-dione

C23H25FN2O3 — CID 3236490

IUPAC1-cyclopentyl-3-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-2,5-dione
SMILESCOc1ccccc1CN1C(=O)CN(C2CCCC2)C(=O)C1c1ccc(F)cc1
InChIInChI=1S/C23H25FN2O3/c1-29-20-9-5-2-6-17(20)14-26-21(27)15-25(19-7-3-4-8-19)23(28)22(26)16-10-12-18(24)13-11-16/h2,5-6,9-13,19,22H,3-4,7-8,14-15H2,1H3
InChIKeyQFUYRIGIUVQHOG-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.69
Rot. Bonds5

About 1-cyclopentyl-3-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-2,5-dione

1-cyclopentyl-3-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-2,5-dione (PubChem CID 3236490) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-2,5-dione
PubChem CID3236490
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name1-cyclopentyl-3-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-2,5-dione
SMILESCOc1ccccc1CN1C(=O)CN(C2CCCC2)C(=O)C1c1ccc(F)cc1
InChIInChI=1S/C23H25FN2O3/c1-29-20-9-5-2-6-17(20)14-26-21(27)15-25(19-7-3-4-8-19)23(28)22(26)16-10-12-18(24)13-11-16/h2,5-6,9-13,19,22H,3-4,7-8,14-15H2,1H3
InChIKeyQFUYRIGIUVQHOG-UHFFFAOYSA-N
XLogP3.69
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Caproctamine
CID 10055202
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
trans-(1R,2R)-N-[cyano-(2-methoxyphenyl)methyl]-2-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 10051341
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone
CID 68269754
(6Z)-1-benzoyl-4-(4-fluorobenzyl)-5-(4-methoxyphenyl)-5,8-dihydro-2H-1,4-diazocin-3-one
CID 16746512
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 755425
1-[4-(2-Methoxy-benzoyl)-piperazin-1-yl]-2-phenyl-ethanone
CID 787279
N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 795920
N-(1-benzylpiperidin-4-yl)-2-(2-methoxyphenyl)acetamide
CID 2729533
N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 4797003
1-[(2-Methoxyphenyl)acetyl]-4-(2-phenylethyl)piperazine
CID 6465271

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-2,5-dione (CID 3236490) is 1-cyclopentyl-3-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-2,5-dione is COc1ccccc1CN1C(=O)CN(C2CCCC2)C(=O)C1c1ccc(F)cc1.
What is the InChIKey of 1-cyclopentyl-3-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-2,5-dione?
The InChIKey is QFUYRIGIUVQHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-29-20-9-5-2-6-17(20)14-26-21(27)15-25(19-7-3-4-8-19)23(28)22(26)16-10-12-18(24)13-11-16/h2,5-6,9-13,19,22H,3-4,7-8,14-15H2,1H3.
What are the key properties of 1-cyclopentyl-3-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-2,5-dione?
1-cyclopentyl-3-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-2,5-dione has a molecular weight of 396.46 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4-fluorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 3236490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).