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

C26H29F4N3O2 — CID 46024646

IUPAC2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
SMILESO=C(NCc1ccccc1F)C(C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C26H29F4N3O2/c27-22-8-4-3-7-20(22)17-31-24(34)23(18-5-1-2-6-18)32-13-15-33(16-14-32)25(35)19-9-11-21(12-10-19)26(28,29)30/h3-4,7-12,18,23H,1-2,5-6,13-17H2,(H,31,34)
InChIKeyBREHTOKOMVIRGM-UHFFFAOYSA-N
MW491.53 g/mol
LogP4.48
Rot. Bonds6

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

2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 46024646) has the molecular formula C26H29F4N3O2 and a molecular weight of 491.53 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
PubChem CID46024646
Molecular FormulaC26H29F4N3O2
Molecular Weight491.53 g/mol
Exact Mass491.22
IUPAC Name2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
SMILESO=C(NCc1ccccc1F)C(C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C26H29F4N3O2/c27-22-8-4-3-7-20(22)17-31-24(34)23(18-5-1-2-6-18)32-13-15-33(16-14-32)25(35)19-9-11-21(12-10-19)26(28,29)30/h3-4,7-12,18,23H,1-2,5-6,13-17H2,(H,31,34)
InChIKeyBREHTOKOMVIRGM-UHFFFAOYSA-N
XLogP4.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
4-Fluoro-N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 155537428
CID 164946740
CID 164946740
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
N-(2-(1-benzylpiperidin-4-yl)ethyl)benzamide
CID 14783860
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-formylbenzamide hydrochloride
CID 14783873
(2S)-2-{[(1S)-1-(4-benzoylphenyl)-2,2,2-trifluoroethyl]amino}-N-(cyanomethyl)-4-methylpentanamide
CID 23648305

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (CID 46024646) is 2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is O=C(NCc1ccccc1F)C(C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is BREHTOKOMVIRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F4N3O2/c27-22-8-4-3-7-20(22)17-31-24(34)23(18-5-1-2-6-18)32-13-15-33(16-14-32)25(35)19-9-11-21(12-10-19)26(28,29)30/h3-4,7-12,18,23H,1-2,5-6,13-17H2,(H,31,34).
What are the key properties of 2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 491.53 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 46024646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).