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

C22H28F3N3O2 — CID 46024339

IUPAC2-cyclopentyl-N-cyclopropyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
SMILESO=C(NC1CC1)C(C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H28F3N3O2/c23-22(24,25)17-7-5-16(6-8-17)21(30)28-13-11-27(12-14-28)19(15-3-1-2-4-15)20(29)26-18-9-10-18/h5-8,15,18-19H,1-4,9-14H2,(H,26,29)
InChIKeyJZJWECFWOFUHPE-UHFFFAOYSA-N
MW423.48 g/mol
LogP3.30
Rot. Bonds5

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

2-cyclopentyl-N-cyclopropyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 46024339) has the molecular formula C22H28F3N3O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 2-cyclopentyl-N-cyclopropyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-cyclopropyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
PubChem CID46024339
Molecular FormulaC22H28F3N3O2
Molecular Weight423.48 g/mol
Exact Mass423.21
IUPAC Name2-cyclopentyl-N-cyclopropyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
SMILESO=C(NC1CC1)C(C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H28F3N3O2/c23-22(24,25)17-7-5-16(6-8-17)21(30)28-13-11-27(12-14-28)19(15-3-1-2-4-15)20(29)26-18-9-10-18/h5-8,15,18-19H,1-4,9-14H2,(H,26,29)
InChIKeyJZJWECFWOFUHPE-UHFFFAOYSA-N
XLogP3.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-1-{2-[(3-{4-[(3,5-difluorophenyl)carbonyl]piperazin-1-yl}-3-oxopropyl)amino]acetyl}pyrrolidine-2-carbonitrile
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CID 23648305
Teijin-lead_cmp_5
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4-(4-Methylbenzoyl)piperazine-2,6-dione
CID 576804
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CID 16196020
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CID 341427
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Mdl 101146
CID 46936357

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-cyclopropyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-cyclopropyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (CID 46024339) is 2-cyclopentyl-N-cyclopropyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-cyclopropyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-cyclopropyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is O=C(NC1CC1)C(C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-cyclopentyl-N-cyclopropyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is JZJWECFWOFUHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N3O2/c23-22(24,25)17-7-5-16(6-8-17)21(30)28-13-11-27(12-14-28)19(15-3-1-2-4-15)20(29)26-18-9-10-18/h5-8,15,18-19H,1-4,9-14H2,(H,26,29).
What are the key properties of 2-cyclopentyl-N-cyclopropyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
2-cyclopentyl-N-cyclopropyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 423.48 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-cyclopropyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 46024339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).