tert-butyl (2S)-2-[[(3aS,4R,6aR)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamoyl]piperidine-1-carboxylate

C26H36F3N3O3 — CID 66590374

IUPACtert-butyl (2S)-2-[[(3aS,4R,6aR)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CC[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]21
InChIInChI=1S/C26H36F3N3O3/c1-25(2,3)35-24(34)32-13-5-4-6-22(32)23(33)30-21-12-9-18-15-31(16-20(18)21)14-17-7-10-19(11-8-17)26(27,28)29/h7-8,10-11,18,20-22H,4-6,9,12-16H2,1-3H3,(H,30,33)/t18-,20+,21+,22-/m0/s1
InChIKeyFGJDMIZPGOYBGU-PDGJWGCVSA-N
MW495.59 g/mol
LogP4.82
Rot. Bonds4

About tert-butyl (2S)-2-[[(3aS,4R,6aR)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamoyl]piperidine-1-carboxylate

tert-butyl (2S)-2-[[(3aS,4R,6aR)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamoyl]piperidine-1-carboxylate (PubChem CID 66590374) has the molecular formula C26H36F3N3O3 and a molecular weight of 495.59 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[(3aS,4R,6aR)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[(3aS,4R,6aR)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamoyl]piperidine-1-carboxylate
PubChem CID66590374
Molecular FormulaC26H36F3N3O3
Molecular Weight495.59 g/mol
Exact Mass495.27
IUPAC Nametert-butyl (2S)-2-[[(3aS,4R,6aR)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CC[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]21
InChIInChI=1S/C26H36F3N3O3/c1-25(2,3)35-24(34)32-13-5-4-6-22(32)23(33)30-21-12-9-18-15-31(16-20(18)21)14-17-7-10-19(11-8-17)26(27,28)29/h7-8,10-11,18,20-22H,4-6,9,12-16H2,1-3H3,(H,30,33)/t18-,20+,21+,22-/m0/s1
InChIKeyFGJDMIZPGOYBGU-PDGJWGCVSA-N
XLogP4.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S)-2-[[(3aS,4R,6aR)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamoyl]piperidine-1-carboxylate 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

tert-butyl N-[[(3S)-1-[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]carbamate
CID 60143350
tert-butyl N-[[(3R)-1-[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]carbamate
CID 60151674
(S)-tert-butyl 2-(4-(((S)-1-((4-methylbenzyl)amino)-1-oxopropan-2-yl)carbamoyl)piperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 16400778
((S)-1-{(1S,3aR,6aS)-4,4-Difluoro-1-[1-((S)-1-phenyl-ethylaminooxalyl)-butylcarbamoyl]-hexahydro-cyclopenta[c]pyrrole-2-carbonyl}-2-methyl-propyl)-carbamic acid isopropyl ester
CID 44323060
N2-methyl-N1-{(3aS,4R,6aR)-2-[3-(trifluoromethyl)benzyl]octahydrocyclopenta[c]pyrrol-4-yl}-L-leucinamide
CID 66591069
tert-butyl N-[[1-[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]carbamate
CID 90675584
tert-butyl (2S,3S)-2-[[(1S)-1-phenylethyl]carbamoyl]-3-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 177853121
tert-butyl (2R,3R)-2-[[(1S)-1-phenylethyl]carbamoyl]-3-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 177853122
tert-butyl 3-[[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]amino]pyrrolidine-1-carboxylate
CID 10007004
3-methyl-2-phenyl-N-{(3aR,4S,6aS)-2-[4-(trifluoromethyl)benzyl]octahydrocyclopenta[c]pyrrol-4-yl}butanamide
CID 54673857
(2S)-N-[(3aS,4R,6aR)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]piperidine-2-carboxamide
CID 54674309
(2S)-N-[(3aS,4R,6aR)-2-[(4-fluorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]piperidine-2-carboxamide
CID 54674310

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[(3aS,4R,6aR)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[[(3aS,4R,6aR)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamoyl]piperidine-1-carboxylate (CID 66590374) is tert-butyl (2S)-2-[[(3aS,4R,6aR)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[[(3aS,4R,6aR)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[[(3aS,4R,6aR)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CC[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]21.
What is the InChIKey of tert-butyl (2S)-2-[[(3aS,4R,6aR)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is FGJDMIZPGOYBGU-PDGJWGCVSA-N. The full InChI is InChI=1S/C26H36F3N3O3/c1-25(2,3)35-24(34)32-13-5-4-6-22(32)23(33)30-21-12-9-18-15-31(16-20(18)21)14-17-7-10-19(11-8-17)26(27,28)29/h7-8,10-11,18,20-22H,4-6,9,12-16H2,1-3H3,(H,30,33)/t18-,20+,21+,22-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[(3aS,4R,6aR)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamoyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[[(3aS,4R,6aR)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 495.59 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[(3aS,4R,6aR)-2-[[4-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 66590374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).