(3aR,6aR)-1'-(furan-3-carbonyl)-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide

C20H29N3O3 — CID 124800747

IUPAC(3aR,6aR)-1'-(furan-3-carbonyl)-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide
SMILESCN1C[C@@H]2C3(CCN(C(=O)c4ccoc4)CC3)CC[C@]2(C(=O)N(C)C)C1
InChIInChI=1S/C20H29N3O3/c1-21(2)18(25)20-6-5-19(16(20)12-22(3)14-20)7-9-23(10-8-19)17(24)15-4-11-26-13-15/h4,11,13,16H,5-10,12,14H2,1-3H3/t16-,20+/m1/s1
InChIKeyAKPPKAOUWLJUCE-UZLBHIALSA-N
MW359.47 g/mol
LogP1.93
Rot. Bonds2

About (3aR,6aR)-1'-(furan-3-carbonyl)-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide

(3aR,6aR)-1'-(furan-3-carbonyl)-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide (PubChem CID 124800747) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (3aR,6aR)-1'-(furan-3-carbonyl)-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-1'-(furan-3-carbonyl)-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide
PubChem CID124800747
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(3aR,6aR)-1'-(furan-3-carbonyl)-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide
SMILESCN1C[C@@H]2C3(CCN(C(=O)c4ccoc4)CC3)CC[C@]2(C(=O)N(C)C)C1
InChIInChI=1S/C20H29N3O3/c1-21(2)18(25)20-6-5-19(16(20)12-22(3)14-20)7-9-23(10-8-19)17(24)15-4-11-26-13-15/h4,11,13,16H,5-10,12,14H2,1-3H3/t16-,20+/m1/s1
InChIKeyAKPPKAOUWLJUCE-UZLBHIALSA-N
XLogP1.93
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aR,6aR)-1'-(furan-3-carbonyl)-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide with MolForge

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Related Compounds

(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)-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
(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
(3aR,6aR)-2-acetyl-N,N-dimethyl-1'-(2-methylfuran-3-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide
CID 124804870
[(3aS,6aS)-2-methyl-3a-(pyrrolidine-1-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-1'-yl]-thiophen-3-ylmethanone
CID 97360339
[(3aS,6aS)-2-methyl-3a-(pyrrolidine-1-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-1'-yl]-(furan-2-yl)methanone
CID 97385108
(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
1-[8-(furan-3-carbonyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91922112
(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
(3aS,6aS)-1'-acetyl-N,N-dimethyl-2-methylsulfonylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide
CID 97439309
furan-3-yl-[4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 133140726
N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 47080410

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-1'-(furan-3-carbonyl)-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide?
The IUPAC name of (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) is (3aR,6aR)-1'-(furan-3-carbonyl)-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide.
What is the SMILES notation for (3aR,6aR)-1'-(furan-3-carbonyl)-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide?
The canonical SMILES for (3aR,6aR)-1'-(furan-3-carbonyl)-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide is CN1C[C@@H]2C3(CCN(C(=O)c4ccoc4)CC3)CC[C@]2(C(=O)N(C)C)C1.
What is the InChIKey of (3aR,6aR)-1'-(furan-3-carbonyl)-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide?
The InChIKey is AKPPKAOUWLJUCE-UZLBHIALSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-21(2)18(25)20-6-5-19(16(20)12-22(3)14-20)7-9-23(10-8-19)17(24)15-4-11-26-13-15/h4,11,13,16H,5-10,12,14H2,1-3H3/t16-,20+/m1/s1.
What are the key properties of (3aR,6aR)-1'-(furan-3-carbonyl)-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide?
(3aR,6aR)-1'-(furan-3-carbonyl)-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-1'-(furan-3-carbonyl)-N,N,2-trimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide is sourced from PubChem (CID 124800747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).