2-cyclopentyl-N-(3-methoxypropyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide

C23H32F3N3O3 — CID 46024383

IUPAC2-cyclopentyl-N-(3-methoxypropyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C23H32F3N3O3/c1-32-16-6-11-27-21(30)20(17-7-2-3-8-17)28-12-14-29(15-13-28)22(31)18-9-4-5-10-19(18)23(24,25)26/h4-5,9-10,17,20H,2-3,6-8,11-16H2,1H3,(H,27,30)
InChIKeyKFDKKIFAIRAXOX-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.17
Rot. Bonds8

About 2-cyclopentyl-N-(3-methoxypropyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide

2-cyclopentyl-N-(3-methoxypropyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 46024383) has the molecular formula C23H32F3N3O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 2-cyclopentyl-N-(3-methoxypropyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(3-methoxypropyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
PubChem CID46024383
Molecular FormulaC23H32F3N3O3
Molecular Weight455.52 g/mol
Exact Mass455.24
IUPAC Name2-cyclopentyl-N-(3-methoxypropyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
SMILESCOCCCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C23H32F3N3O3/c1-32-16-6-11-27-21(30)20(17-7-2-3-8-17)28-12-14-29(15-13-28)22(31)18-9-4-5-10-19(18)23(24,25)26/h4-5,9-10,17,20H,2-3,6-8,11-16H2,1H3,(H,27,30)
InChIKeyKFDKKIFAIRAXOX-UHFFFAOYSA-N
XLogP3.17
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 42842571
2-cyclopentyl-2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 46152963
(2R)-2-cyclopentyl-N,N-diethyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93208283
2-[4-(4-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methoxypropyl)acetamide
CID 42842568
(2R)-2-cyclopentyl-N-(3-methoxypropyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93209430
2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
CID 46024730
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42842706
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 46024216
N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 46024614
3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide
CID 108556215
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
CID 46024701
(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide
CID 93209331

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(3-methoxypropyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-(3-methoxypropyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (CID 46024383) is 2-cyclopentyl-N-(3-methoxypropyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-(3-methoxypropyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-(3-methoxypropyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is COCCCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 2-cyclopentyl-N-(3-methoxypropyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is KFDKKIFAIRAXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F3N3O3/c1-32-16-6-11-27-21(30)20(17-7-2-3-8-17)28-12-14-29(15-13-28)22(31)18-9-4-5-10-19(18)23(24,25)26/h4-5,9-10,17,20H,2-3,6-8,11-16H2,1H3,(H,27,30).
What are the key properties of 2-cyclopentyl-N-(3-methoxypropyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
2-cyclopentyl-N-(3-methoxypropyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 455.52 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(3-methoxypropyl)-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 46024383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).