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

C26H36F3N3O2 — CID 93210339

IUPAC(2S)-N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
SMILESO=C(NCC1CCCCC1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C26H36F3N3O2/c27-26(28,29)22-12-10-21(11-13-22)25(34)32-16-14-31(15-17-32)23(20-8-4-5-9-20)24(33)30-18-19-6-2-1-3-7-19/h10-13,19-20,23H,1-9,14-18H2,(H,30,33)/t23-/m0/s1
InChIKeyFFVXHHBEJBKDJG-QHCPKHFHSA-N
MW479.59 g/mol
LogP4.72
Rot. Bonds6

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

(2S)-N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 93210339) has the molecular formula C26H36F3N3O2 and a molecular weight of 479.59 g/mol. Its IUPAC name is (2S)-N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2S)-N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
PubChem CID93210339
Molecular FormulaC26H36F3N3O2
Molecular Weight479.59 g/mol
Exact Mass479.28
IUPAC Name(2S)-N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
SMILESO=C(NCC1CCCCC1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C26H36F3N3O2/c27-26(28,29)22-12-10-21(11-13-22)25(34)32-16-14-31(15-17-32)23(20-8-4-5-9-20)24(33)30-18-19-6-2-1-3-7-19/h10-13,19-20,23H,1-9,14-18H2,(H,30,33)/t23-/m0/s1
InChIKeyFFVXHHBEJBKDJG-QHCPKHFHSA-N
XLogP4.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentyl-N-(2-piperidin-1-ylethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 46024581
(2R)-2-cyclopentyl-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93210467
2-cyclopentyl-N-ethyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 46024137
N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 46024614
(2R)-2-cyclopentyl-N-(3,5-dimethoxyphenyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93221901
2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide
CID 42842621
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(oxolan-2-ylmethyl)acetamide
CID 46024452
(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 93209680
(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(pyridin-4-ylmethyl)acetamide
CID 93208855
(2R)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-cyclopropylacetamide
CID 93209263
N-benzyl-2-cyclopentyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 42842360
2-cyclohexyl-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 55586569

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of (2S)-N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (CID 93210339) is (2S)-N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for (2S)-N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for (2S)-N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is O=C(NCC1CCCCC1)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of (2S)-N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is FFVXHHBEJBKDJG-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H36F3N3O2/c27-26(28,29)22-12-10-21(11-13-22)25(34)32-16-14-31(15-17-32)23(20-8-4-5-9-20)24(33)30-18-19-6-2-1-3-7-19/h10-13,19-20,23H,1-9,14-18H2,(H,30,33)/t23-/m0/s1.
What are the key properties of (2S)-N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
(2S)-N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 479.59 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 93210339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).