1-[(2R)-4-(3-cyclopentyloxy-4-ethoxyphenyl)-2-(pyrazol-1-ylmethyl)piperazin-1-yl]ethanone

C23H32N4O3 — CID 67291509

IUPAC1-[(2R)-4-(3-cyclopentyloxy-4-ethoxyphenyl)-2-(pyrazol-1-ylmethyl)piperazin-1-yl]ethanone
SMILESCCOc1ccc(N2CCN(C(C)=O)[C@@H](Cn3cccn3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H32N4O3/c1-3-29-22-10-9-19(15-23(22)30-21-7-4-5-8-21)25-13-14-27(18(2)28)20(16-25)17-26-12-6-11-24-26/h6,9-12,15,20-21H,3-5,7-8,13-14,16-17H2,1-2H3/t20-/m1/s1
InChIKeyAPKXNGDZFPTZDG-HXUWFJFHSA-N
MW412.53 g/mol
LogP3.34
Rot. Bonds7

About 1-[(2R)-4-(3-cyclopentyloxy-4-ethoxyphenyl)-2-(pyrazol-1-ylmethyl)piperazin-1-yl]ethanone

1-[(2R)-4-(3-cyclopentyloxy-4-ethoxyphenyl)-2-(pyrazol-1-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 67291509) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 1-[(2R)-4-(3-cyclopentyloxy-4-ethoxyphenyl)-2-(pyrazol-1-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-4-(3-cyclopentyloxy-4-ethoxyphenyl)-2-(pyrazol-1-ylmethyl)piperazin-1-yl]ethanone
PubChem CID67291509
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name1-[(2R)-4-(3-cyclopentyloxy-4-ethoxyphenyl)-2-(pyrazol-1-ylmethyl)piperazin-1-yl]ethanone
SMILESCCOc1ccc(N2CCN(C(C)=O)[C@@H](Cn3cccn3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H32N4O3/c1-3-29-22-10-9-19(15-23(22)30-21-7-4-5-8-21)25-13-14-27(18(2)28)20(16-25)17-26-12-6-11-24-26/h6,9-12,15,20-21H,3-5,7-8,13-14,16-17H2,1-2H3/t20-/m1/s1
InChIKeyAPKXNGDZFPTZDG-HXUWFJFHSA-N
XLogP3.34
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-[(2R)-4-(3-cyclopentyloxy-4-ethoxyphenyl)-2-(pyrazol-1-ylmethyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-(morpholin-4-ylmethyl)piperazin-1-yl]ethanone
CID 67291254
1-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-2-pyrimidin-2-ylethanone
CID 67289879
tert-butyl (2S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
CID 66826381
ethyl 4-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-4-oxobutanoate
CID 123451512
1-[(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-2-methoxyethanone
CID 58189146
1-[2-benzyl-4-(3-cyclobutyloxy-4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 66826219
1-[(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-2-(1H-1,2,4-triazol-5-yl)ethanone
CID 66825980
3-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-3-oxopropanehydrazide
CID 66825417
1-[(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-2-(1H-imidazol-5-yl)ethanone
CID 58189217
4-[(2S)-2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-N-methyl-4-oxobutanamide
CID 58189011
2-[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide
CID 66824930
[2-benzyl-4-(3-cyclopentyloxy-4-methoxyphenyl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone
CID 67292598

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-(3-cyclopentyloxy-4-ethoxyphenyl)-2-(pyrazol-1-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-4-(3-cyclopentyloxy-4-ethoxyphenyl)-2-(pyrazol-1-ylmethyl)piperazin-1-yl]ethanone (CID 67291509) is 1-[(2R)-4-(3-cyclopentyloxy-4-ethoxyphenyl)-2-(pyrazol-1-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-4-(3-cyclopentyloxy-4-ethoxyphenyl)-2-(pyrazol-1-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-4-(3-cyclopentyloxy-4-ethoxyphenyl)-2-(pyrazol-1-ylmethyl)piperazin-1-yl]ethanone is CCOc1ccc(N2CCN(C(C)=O)[C@@H](Cn3cccn3)C2)cc1OC1CCCC1.
What is the InChIKey of 1-[(2R)-4-(3-cyclopentyloxy-4-ethoxyphenyl)-2-(pyrazol-1-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is APKXNGDZFPTZDG-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-3-29-22-10-9-19(15-23(22)30-21-7-4-5-8-21)25-13-14-27(18(2)28)20(16-25)17-26-12-6-11-24-26/h6,9-12,15,20-21H,3-5,7-8,13-14,16-17H2,1-2H3/t20-/m1/s1.
What are the key properties of 1-[(2R)-4-(3-cyclopentyloxy-4-ethoxyphenyl)-2-(pyrazol-1-ylmethyl)piperazin-1-yl]ethanone?
1-[(2R)-4-(3-cyclopentyloxy-4-ethoxyphenyl)-2-(pyrazol-1-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 412.53 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-(3-cyclopentyloxy-4-ethoxyphenyl)-2-(pyrazol-1-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 67291509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).