(3aS,6aS)-N,N,2-trimethyl-1'-(pyridine-2-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;2,2,2-trifluoroacetic acid

C23H31F3N4O4 — CID 171695757

IUPAC(3aS,6aS)-N,N,2-trimethyl-1'-(pyridine-2-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN1C[C@H]2C3(CCN(C(=O)c4ccccn4)CC3)CC[C@@]2(C(=O)N(C)C)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H30N4O2.C2HF3O2/c1-23(2)19(27)21-8-7-20(17(21)14-24(3)15-21)9-12-25(13-10-20)18(26)16-6-4-5-11-22-16;3-2(4,5)1(6)7/h4-6,11,17H,7-10,12-15H2,1-3H3;(H,6,7)/t17-,21+;/m0./s1
InChIKeyCWKACDWJUZJVOS-CQVJSGDESA-N
MW484.52 g/mol
LogP2.37
Rot. Bonds2

About (3aS,6aS)-N,N,2-trimethyl-1'-(pyridine-2-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;2,2,2-trifluoroacetic acid

(3aS,6aS)-N,N,2-trimethyl-1'-(pyridine-2-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 171695757) has the molecular formula C23H31F3N4O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is (3aS,6aS)-N,N,2-trimethyl-1'-(pyridine-2-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3aS,6aS)-N,N,2-trimethyl-1'-(pyridine-2-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID171695757
Molecular FormulaC23H31F3N4O4
Molecular Weight484.52 g/mol
Exact Mass484.23
IUPAC Name(3aS,6aS)-N,N,2-trimethyl-1'-(pyridine-2-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN1C[C@H]2C3(CCN(C(=O)c4ccccn4)CC3)CC[C@@]2(C(=O)N(C)C)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H30N4O2.C2HF3O2/c1-23(2)19(27)21-8-7-20(17(21)14-24(3)15-21)9-12-25(13-10-20)18(26)16-6-4-5-11-22-16;3-2(4,5)1(6)7/h4-6,11,17H,7-10,12-15H2,1-3H3;(H,6,7)/t17-,21+;/m0./s1
InChIKeyCWKACDWJUZJVOS-CQVJSGDESA-N
XLogP2.37
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aS,6aS)-N,N,2-trimethyl-1'-(pyridine-2-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

(3aS,6aS)-N,N,2-trimethyl-1'-(1-methylpyrrole-2-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;2,2,2-trifluoroacetic acid
CID 155831590
(3aR,6aR)-N,N,2-trimethyl-1'-(1-methylpyrrole-2-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide
CID 124809354
(3aS,6aS)-1'-ethylsulfonyl-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;2,2,2-trifluoroacetic acid
CID 127022739
(3aR,8aR)-N,N-dimethyl-5-(pyridine-2-carbonyl)-2-pyrimidin-2-yl-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxamide;2,2,2-trifluoroacetic acid
CID 171695125
(3aR,6aR)-1'-(furan-3-carbonyl)-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide
CID 124800747
(3aS,6aS)-N,N,2-trimethyl-1'-[(5-methylfuran-2-yl)methyl]spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155841005
(3aS,6aS)-3a-N,3a-N-dimethyl-2-methylsulfonyl-1-N'-pyridin-4-ylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-1',3a-dicarboxamide;2,2,2-trifluoroacetic acid
CID 155856908
(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 171696044
(3aR,6aR)-1'-[2-(4-methoxyphenyl)acetyl]-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide
CID 124801417
[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 118744890
pyridin-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
CID 155843116
4-phenyl-8-(pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155844440

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-N,N,2-trimethyl-1'-(pyridine-2-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (3aS,6aS)-N,N,2-trimethyl-1'-(pyridine-2-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;2,2,2-trifluoroacetic acid (CID 171695757) is (3aS,6aS)-N,N,2-trimethyl-1'-(pyridine-2-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3aS,6aS)-N,N,2-trimethyl-1'-(pyridine-2-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3aS,6aS)-N,N,2-trimethyl-1'-(pyridine-2-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;2,2,2-trifluoroacetic acid is CN1C[C@H]2C3(CCN(C(=O)c4ccccn4)CC3)CC[C@@]2(C(=O)N(C)C)C1.O=C(O)C(F)(F)F.
What is the InChIKey of (3aS,6aS)-N,N,2-trimethyl-1'-(pyridine-2-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is CWKACDWJUZJVOS-CQVJSGDESA-N. The full InChI is InChI=1S/C21H30N4O2.C2HF3O2/c1-23(2)19(27)21-8-7-20(17(21)14-24(3)15-21)9-12-25(13-10-20)18(26)16-6-4-5-11-22-16;3-2(4,5)1(6)7/h4-6,11,17H,7-10,12-15H2,1-3H3;(H,6,7)/t17-,21+;/m0./s1.
What are the key properties of (3aS,6aS)-N,N,2-trimethyl-1'-(pyridine-2-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;2,2,2-trifluoroacetic acid?
(3aS,6aS)-N,N,2-trimethyl-1'-(pyridine-2-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 484.52 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-N,N,2-trimethyl-1'-(pyridine-2-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171695757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).