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

C22H28F3N3O2 — CID 46153005

IUPAC2-cyclopentyl-N-prop-2-enyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
SMILESC=CCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H28F3N3O2/c1-2-11-26-20(29)19(16-5-3-4-6-16)27-12-14-28(15-13-27)21(30)17-7-9-18(10-8-17)22(23,24)25/h2,7-10,16,19H,1,3-6,11-15H2,(H,26,29)
InChIKeyOCLFTNNSHVVGPK-UHFFFAOYSA-N
MW423.48 g/mol
LogP3.32
Rot. Bonds6

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

2-cyclopentyl-N-prop-2-enyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 46153005) has the molecular formula C22H28F3N3O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 2-cyclopentyl-N-prop-2-enyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-prop-2-enyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
PubChem CID46153005
Molecular FormulaC22H28F3N3O2
Molecular Weight423.48 g/mol
Exact Mass423.21
IUPAC Name2-cyclopentyl-N-prop-2-enyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
SMILESC=CCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H28F3N3O2/c1-2-11-26-20(29)19(16-5-3-4-6-16)27-12-14-28(15-13-27)21(30)17-7-9-18(10-8-17)22(23,24)25/h2,7-10,16,19H,1,3-6,11-15H2,(H,26,29)
InChIKeyOCLFTNNSHVVGPK-UHFFFAOYSA-N
XLogP3.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Benzoylpiperazine
CID 762654
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
(S)-N-(cyclobutylmethyl)-N-(pyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
CID 44517677
N-4-Piperidylbenzamide
CID 118120
N-{[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]methyl}benzamide
CID 5494422
N-[(2S)-3-methyl-1-oxo-1-(2-phenylethylamino)butan-2-yl]benzamide
CID 2211217
(2S)-N-(cyanomethyl)-3-cyclohexyl-2-(phenylformamido)propanamide
CID 9948720
(2S)-1-{2-[(3-{4-[(3,5-difluorophenyl)carbonyl]piperazin-1-yl}-3-oxopropyl)amino]acetyl}pyrrolidine-2-carbonitrile
CID 11604454
N-benzoyl-phenylalanyl-glycine-nitrile
CID 11702265
(2S)-2-{[(1S)-1-(4-benzoylphenyl)-2,2,2-trifluoroethyl]amino}-N-(cyanomethyl)-4-methylpentanamide
CID 23648305
Teijin-lead_cmp_5
CID 44353447
N,N-Diethyl-4-[piperidin-4-ylidene-(3-trifluoromethyl-phenyl)-methyl]-benzamide
CID 10001960

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-prop-2-enyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-prop-2-enyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (CID 46153005) is 2-cyclopentyl-N-prop-2-enyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-prop-2-enyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-prop-2-enyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is C=CCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-cyclopentyl-N-prop-2-enyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is OCLFTNNSHVVGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N3O2/c1-2-11-26-20(29)19(16-5-3-4-6-16)27-12-14-28(15-13-27)21(30)17-7-9-18(10-8-17)22(23,24)25/h2,7-10,16,19H,1,3-6,11-15H2,(H,26,29).
What are the key properties of 2-cyclopentyl-N-prop-2-enyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
2-cyclopentyl-N-prop-2-enyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 423.48 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-prop-2-enyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 46153005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).