[(3aS,6aS)-2-ethyl-1'-(furan-3-ylmethyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-yl]-pyrrolidin-1-ylmethanone

C23H35N3O2 — CID 97385111

IUPAC[(3aS,6aS)-2-ethyl-1'-(furan-3-ylmethyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-yl]-pyrrolidin-1-ylmethanone
SMILESCCN1C[C@H]2C3(CCN(Cc4ccoc4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1
InChIInChI=1S/C23H35N3O2/c1-2-24-16-20-22(8-12-25(13-9-22)15-19-5-14-28-17-19)6-7-23(20,18-24)21(27)26-10-3-4-11-26/h5,14,17,20H,2-4,6-13,15-16,18H2,1H3/t20-,23+/m0/s1
InChIKeyKHFUGPPWBHTFFO-NZQKXSOJSA-N
MW385.55 g/mol
LogP3.22
Rot. Bonds4

About [(3aS,6aS)-2-ethyl-1'-(furan-3-ylmethyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-yl]-pyrrolidin-1-ylmethanone

[(3aS,6aS)-2-ethyl-1'-(furan-3-ylmethyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97385111) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is [(3aS,6aS)-2-ethyl-1'-(furan-3-ylmethyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3aS,6aS)-2-ethyl-1'-(furan-3-ylmethyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-yl]-pyrrolidin-1-ylmethanone
PubChem CID97385111
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name[(3aS,6aS)-2-ethyl-1'-(furan-3-ylmethyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-yl]-pyrrolidin-1-ylmethanone
SMILESCCN1C[C@H]2C3(CCN(Cc4ccoc4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1
InChIInChI=1S/C23H35N3O2/c1-2-24-16-20-22(8-12-25(13-9-22)15-19-5-14-28-17-19)6-7-23(20,18-24)21(27)26-10-3-4-11-26/h5,14,17,20H,2-4,6-13,15-16,18H2,1H3/t20-,23+/m0/s1
InChIKeyKHFUGPPWBHTFFO-NZQKXSOJSA-N
XLogP3.22
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3aS,6aS)-2-ethyl-1'-(furan-3-ylmethyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

1-[(3aR,6aR)-2-ethyl-3a-(pyrrolidine-1-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-1'-yl]ethanone
CID 124798994
[(3aS,6aS)-2-ethyl-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-yl]-pyrrolidin-1-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155830318
(4S,5R)-2-ethyl-7-(furan-3-ylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane
CID 97486934
3-ethyl-1-(furan-3-ylmethyl)pyrrolidine-3-carboxylic acid
CID 65064280
1-[7-(furan-3-ylmethyl)-1,7-diazaspiro[3.5]nonan-1-yl]ethanone
CID 97412788
(3aS,6aS)-1'-(benzenesulfonyl)-2-ethyl-N,N-dimethylspiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide
CID 97439449
(4aS,8aS)-7-(furan-3-ylmethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 134713747
[4-ethyl-1-(furan-3-ylmethyl)piperidin-4-yl]methanol
CID 115883315
8-(furan-3-ylmethyl)-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 131677243
(3S,4S)-1-(furan-3-ylmethyl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 135105447
(3aS,8aS)-2-(furan-3-ylmethyl)-5-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid
CID 124820530
1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
CID 95043139

Frequently Asked Questions

What is the IUPAC name of [(3aS,6aS)-2-ethyl-1'-(furan-3-ylmethyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3aS,6aS)-2-ethyl-1'-(furan-3-ylmethyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-yl]-pyrrolidin-1-ylmethanone (CID 97385111) is [(3aS,6aS)-2-ethyl-1'-(furan-3-ylmethyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3aS,6aS)-2-ethyl-1'-(furan-3-ylmethyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3aS,6aS)-2-ethyl-1'-(furan-3-ylmethyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-yl]-pyrrolidin-1-ylmethanone is CCN1C[C@H]2C3(CCN(Cc4ccoc4)CC3)CC[C@@]2(C(=O)N2CCCC2)C1.
What is the InChIKey of [(3aS,6aS)-2-ethyl-1'-(furan-3-ylmethyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KHFUGPPWBHTFFO-NZQKXSOJSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-2-24-16-20-22(8-12-25(13-9-22)15-19-5-14-28-17-19)6-7-23(20,18-24)21(27)26-10-3-4-11-26/h5,14,17,20H,2-4,6-13,15-16,18H2,1H3/t20-,23+/m0/s1.
What are the key properties of [(3aS,6aS)-2-ethyl-1'-(furan-3-ylmethyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-yl]-pyrrolidin-1-ylmethanone?
[(3aS,6aS)-2-ethyl-1'-(furan-3-ylmethyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 385.55 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aS)-2-ethyl-1'-(furan-3-ylmethyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97385111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).