2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide

C25H38N4O3 — CID 46024749

IUPAC2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(NCCCN1CCOCC1)C(C1CCCC1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C25H38N4O3/c30-24(26-11-6-12-27-17-19-32-20-18-27)23(21-7-4-5-8-21)28-13-15-29(16-14-28)25(31)22-9-2-1-3-10-22/h1-3,9-10,21,23H,4-8,11-20H2,(H,26,30)
InChIKeyBCLWFMDPUKQUNV-UHFFFAOYSA-N
MW442.60 g/mol
LogP1.84
Rot. Bonds8

About 2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide

2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 46024749) has the molecular formula C25H38N4O3 and a molecular weight of 442.60 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID46024749
Molecular FormulaC25H38N4O3
Molecular Weight442.60 g/mol
Exact Mass442.29
IUPAC Name2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(NCCCN1CCOCC1)C(C1CCCC1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C25H38N4O3/c30-24(26-11-6-12-27-17-19-32-20-18-27)23(21-7-4-5-8-21)28-13-15-29(16-14-28)25(31)22-9-2-1-3-10-22/h1-3,9-10,21,23H,4-8,11-20H2,(H,26,30)
InChIKeyBCLWFMDPUKQUNV-UHFFFAOYSA-N
XLogP1.84
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 46024760
(2R)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
CID 93210790
4-[1-cyclopentyl-2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
CID 46027346
2-cyclopentyl-N-(2-methylpropyl)-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetamide
CID 46024214
(2S)-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 93210274
(2R)-2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-piperidin-1-ylethyl)acetamide
CID 93210326
2-cyclopentyl-N-(2-piperidin-1-ylethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 46024581
2-cyclopentyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 46024838
(2S)-2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 93210313
2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 46152963
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[3-(dimethylamino)propyl]acetamide
CID 42842805
(2R)-2-cyclopentyloxy-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
CID 95284676

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide (CID 46024749) is 2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide is O=C(NCCCN1CCOCC1)C(C1CCCC1)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is BCLWFMDPUKQUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O3/c30-24(26-11-6-12-27-17-19-32-20-18-27)23(21-7-4-5-8-21)28-13-15-29(16-14-28)25(31)22-9-2-1-3-10-22/h1-3,9-10,21,23H,4-8,11-20H2,(H,26,30).
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide?
2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 442.60 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 46024749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).