2-cyclopentyl-2-hydroxy-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-phenylethanone

C26H34N2O3 — CID 122664623

IUPAC2-cyclopentyl-2-hydroxy-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-phenylethanone
SMILESCOc1ccc(CCN2CCN(C(=O)C(O)(c3ccccc3)C3CCCC3)CC2)cc1
InChIInChI=1S/C26H34N2O3/c1-31-24-13-11-21(12-14-24)15-16-27-17-19-28(20-18-27)25(29)26(30,23-9-5-6-10-23)22-7-3-2-4-8-22/h2-4,7-8,11-14,23,30H,5-6,9-10,15-20H2,1H3
InChIKeyNTNKTJZGUOLLSE-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.46
Rot. Bonds7

About 2-cyclopentyl-2-hydroxy-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-phenylethanone

2-cyclopentyl-2-hydroxy-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-phenylethanone (PubChem CID 122664623) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-cyclopentyl-2-hydroxy-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-cyclopentyl-2-hydroxy-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-phenylethanone
PubChem CID122664623
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name2-cyclopentyl-2-hydroxy-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-phenylethanone
SMILESCOc1ccc(CCN2CCN(C(=O)C(O)(c3ccccc3)C3CCCC3)CC2)cc1
InChIInChI=1S/C26H34N2O3/c1-31-24-13-11-21(12-14-24)15-16-27-17-19-28(20-18-27)25(29)26(30,23-9-5-6-10-23)22-7-3-2-4-8-22/h2-4,7-8,11-14,23,30H,5-6,9-10,15-20H2,1H3
InChIKeyNTNKTJZGUOLLSE-UHFFFAOYSA-N
XLogP3.46
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-Methoxyphenyl)acetyl]-4-methylpiperazine
CID 551032
2-(4-Methoxyphenyl)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 2908424
2-(2-Methoxyphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 6465271
3-Cyclopentyl-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]propan-1-one
CID 651244
1-[4-[4-[(4-Methoxyphenyl)methyl]piperidin-1-yl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 44389732
N-allyl-N-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-2-(4-methoxyphenyl)acetamide
CID 49798130
2-(2-Methoxy-phenyl)-1-[4-(3-phenyl-propyl)-piperazin-1-yl]-ethanone
CID 401818
2-(4-Methoxy-phenyl)-1-[4-(3-phenyl-propyl)-piperazin-1-yl]-ethanone
CID 401822
(4-Methoxyphenyl)cyclopentyl morpholin-4-yl ketone
CID 972908
1,4-Bis[(4-methoxyphenyl)acetyl]piperazine
CID 1010420
1-[4-[2-(4-Methylphenoxy)acetyl]piperazin-1-yl]-2-phenylethanone
CID 1359190
4-[(4-Methoxyphenyl)acetyl]-1-(2-phenylethyl)piperazine-2,6-dione
CID 3238757

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-hydroxy-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 2-cyclopentyl-2-hydroxy-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-phenylethanone (CID 122664623) is 2-cyclopentyl-2-hydroxy-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-cyclopentyl-2-hydroxy-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-cyclopentyl-2-hydroxy-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-phenylethanone is COc1ccc(CCN2CCN(C(=O)C(O)(c3ccccc3)C3CCCC3)CC2)cc1.
What is the InChIKey of 2-cyclopentyl-2-hydroxy-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is NTNKTJZGUOLLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-31-24-13-11-21(12-14-24)15-16-27-17-19-28(20-18-27)25(29)26(30,23-9-5-6-10-23)22-7-3-2-4-8-22/h2-4,7-8,11-14,23,30H,5-6,9-10,15-20H2,1H3.
What are the key properties of 2-cyclopentyl-2-hydroxy-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-phenylethanone?
2-cyclopentyl-2-hydroxy-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 422.57 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-hydroxy-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 122664623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).