(2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)benzoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-pyrrolidin-1-ylpentanamide

C25H34F3N3O2 — CID 54674307

IUPAC(2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)benzoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-pyrrolidin-1-ylpentanamide
SMILESCC(C)C[C@@H](C(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@H]21)N1CCCC1
InChIInChI=1S/C25H34F3N3O2/c1-16(2)12-22(30-10-3-4-11-30)23(32)29-21-9-8-18-14-31(15-20(18)21)24(33)17-6-5-7-19(13-17)25(26,27)28/h5-7,13,16,18,20-22H,3-4,8-12,14-15H2,1-2H3,(H,29,32)/t18-,20+,21+,22-/m0/s1
InChIKeyIZVDDZONEXJMSN-PDGJWGCVSA-N
MW465.56 g/mol
LogP4.18
Rot. Bonds6

About (2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)benzoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-pyrrolidin-1-ylpentanamide

(2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)benzoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-pyrrolidin-1-ylpentanamide (PubChem CID 54674307) has the molecular formula C25H34F3N3O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is (2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)benzoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-pyrrolidin-1-ylpentanamide.

Molecular Properties

Compound Name(2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)benzoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-pyrrolidin-1-ylpentanamide
PubChem CID54674307
Molecular FormulaC25H34F3N3O2
Molecular Weight465.56 g/mol
Exact Mass465.26
IUPAC Name(2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)benzoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-pyrrolidin-1-ylpentanamide
SMILESCC(C)C[C@@H](C(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@H]21)N1CCCC1
InChIInChI=1S/C25H34F3N3O2/c1-16(2)12-22(30-10-3-4-11-30)23(32)29-21-9-8-18-14-31(15-20(18)21)24(33)17-6-5-7-19(13-17)25(26,27)28/h5-7,13,16,18,20-22H,3-4,8-12,14-15H2,1-2H3,(H,29,32)/t18-,20+,21+,22-/m0/s1
InChIKeyIZVDDZONEXJMSN-PDGJWGCVSA-N
XLogP4.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)benzoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-pyrrolidin-1-ylpentanamide with MolForge

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Related Compounds

N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]benzamide
CID 25218668
(R)-N-(2-((1-benzylpyrrolidin-3-yl)amino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
CID 44453592
2,2-dicyclohexyl-N-{(3aS,4S,6aR)-2-[3-(trifluoromethyl)benzyl]octahydrocyclopenta[c]pyrrol-4-yl}acetamide
CID 46213054
(R)-N-(2-(1-(2-(1-(2-methylbenzoyl)piperidin-4-yl)ethyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
CID 46842084
(R)-N-(2-(1-(2-(1-(3-methylbenzoyl)piperidin-4-yl)ethyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
CID 46842086
(R)-N-(2-(1-(2-(1-benzoylpiperidin-4-yl)ethyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
CID 46842383
(R)-N-(2-(1-(2-(4-(3-methylbenzoyl)piperazin-1-yl)ethyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
CID 46885029
N-(2-((3R)-1-(2-(4-benzoylpiperazin-1-yl)propyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
CID 46885214
2-propyl-N-{(3aS*,4S*,6aR*)-2-[3-(trifluoromethyl)benzyl]octahydrocyclopenta[c]pyrrol-4-yl}pentanamide
CID 66590416
3-methyl-2-phenyl-N-{(3aS*,4S*,6aR*)-2-[3-(trifluoromethyl)benzyl]octahydrocyclopenta[c]pyrrol-4-yl}butanamide
CID 66590937
N-{(3aS*,4S*,6aR*)-2-[3-(trifluoromethyl)benzyl]octahydrocyclopenta[c]pyrrol-4-yl}cycloheptanecarboxamide
CID 68413901
N-[2-[[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxo-ethyl]-3-(trifluoromethyl)benzamide
CID 508742

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)benzoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-pyrrolidin-1-ylpentanamide?
The IUPAC name of (2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)benzoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-pyrrolidin-1-ylpentanamide (CID 54674307) is (2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)benzoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-pyrrolidin-1-ylpentanamide.
What is the SMILES notation for (2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)benzoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-pyrrolidin-1-ylpentanamide?
The canonical SMILES for (2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)benzoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-pyrrolidin-1-ylpentanamide is CC(C)C[C@@H](C(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3cccc(C(F)(F)F)c3)C[C@H]21)N1CCCC1.
What is the InChIKey of (2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)benzoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-pyrrolidin-1-ylpentanamide?
The InChIKey is IZVDDZONEXJMSN-PDGJWGCVSA-N. The full InChI is InChI=1S/C25H34F3N3O2/c1-16(2)12-22(30-10-3-4-11-30)23(32)29-21-9-8-18-14-31(15-20(18)21)24(33)17-6-5-7-19(13-17)25(26,27)28/h5-7,13,16,18,20-22H,3-4,8-12,14-15H2,1-2H3,(H,29,32)/t18-,20+,21+,22-/m0/s1.
What are the key properties of (2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)benzoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-pyrrolidin-1-ylpentanamide?
(2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)benzoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-pyrrolidin-1-ylpentanamide has a molecular weight of 465.56 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3aS,4R,6aR)-2-[3-(trifluoromethyl)benzoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-4-methyl-2-pyrrolidin-1-ylpentanamide is sourced from PubChem (CID 54674307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).