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

C24H34F3N3O2 — CID 93210098

IUPAC(2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
SMILESCC(C)CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H34F3N3O2/c1-17(2)11-12-28-22(31)21(18-5-3-4-6-18)29-13-15-30(16-14-29)23(32)19-7-9-20(10-8-19)24(25,26)27/h7-10,17-18,21H,3-6,11-16H2,1-2H3,(H,28,31)/t21-/m0/s1
InChIKeySYDIIJUYIQZICD-NRFANRHFSA-N
MW453.55 g/mol
LogP4.18
Rot. Bonds7

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

(2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (PubChem CID 93210098) has the molecular formula C24H34F3N3O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is (2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
PubChem CID93210098
Molecular FormulaC24H34F3N3O2
Molecular Weight453.55 g/mol
Exact Mass453.26
IUPAC Name(2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
SMILESCC(C)CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H34F3N3O2/c1-17(2)11-12-28-22(31)21(18-5-3-4-6-18)29-13-15-30(16-14-29)23(32)19-7-9-20(10-8-19)24(25,26)27/h7-10,17-18,21H,3-6,11-16H2,1-2H3,(H,28,31)/t21-/m0/s1
InChIKeySYDIIJUYIQZICD-NRFANRHFSA-N
XLogP4.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of (2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide (CID 93210098) is (2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for (2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for (2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is CC(C)CCNC(=O)[C@H](C1CCCC1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of (2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is SYDIIJUYIQZICD-NRFANRHFSA-N. The full InChI is InChI=1S/C24H34F3N3O2/c1-17(2)11-12-28-22(31)21(18-5-3-4-6-18)29-13-15-30(16-14-29)23(32)19-7-9-20(10-8-19)24(25,26)27/h7-10,17-18,21H,3-6,11-16H2,1-2H3,(H,28,31)/t21-/m0/s1.
What are the key properties of (2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide?
(2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 453.55 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 93210098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).