[(2S,3aS,7aR)-6-[(2-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone

C20H28N2O3 — CID 97364879

IUPAC[(2S,3aS,7aR)-6-[(2-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccccc1CN1CC[C@H]2C[C@@H](C(=O)N3CCCC3)O[C@H]2C1
InChIInChI=1S/C20H28N2O3/c1-24-17-7-3-2-6-16(17)13-21-11-8-15-12-18(25-19(15)14-21)20(23)22-9-4-5-10-22/h2-3,6-7,15,18-19H,4-5,8-14H2,1H3/t15-,18-,19-/m0/s1
InChIKeyKIRJVRFMUHQMRZ-SNRMKQJTSA-N
MW344.45 g/mol
LogP2.30
Rot. Bonds4

About [(2S,3aS,7aR)-6-[(2-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone

[(2S,3aS,7aR)-6-[(2-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97364879) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is [(2S,3aS,7aR)-6-[(2-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S,3aS,7aR)-6-[(2-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID97364879
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name[(2S,3aS,7aR)-6-[(2-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccccc1CN1CC[C@H]2C[C@@H](C(=O)N3CCCC3)O[C@H]2C1
InChIInChI=1S/C20H28N2O3/c1-24-17-7-3-2-6-16(17)13-21-11-8-15-12-18(25-19(15)14-21)20(23)22-9-4-5-10-22/h2-3,6-7,15,18-19H,4-5,8-14H2,1H3/t15-,18-,19-/m0/s1
InChIKeyKIRJVRFMUHQMRZ-SNRMKQJTSA-N
XLogP2.30
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S,3aS,7aR)-6-[(2-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[(2S,3aS,7aR)-6-[(2-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 127023687
[(2S,3aS,7aS)-6-[(2-fluorophenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 97366673
[(2R,3aS,7aR)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 97366906
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
[(2S,3aS,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 127021474
(2R,3aS,7aR)-6-[(2-methoxy-3-pyridinyl)methyl]-N-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366937
1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845803
[5-(aminomethyl)oxolan-2-yl]-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 169493694
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
[(2S,3aS,7aS)-6-(thiophen-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 97366740
(2-hydroxycyclopentyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110014493

Frequently Asked Questions

What is the IUPAC name of [(2S,3aS,7aR)-6-[(2-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2S,3aS,7aR)-6-[(2-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone (CID 97364879) is [(2S,3aS,7aR)-6-[(2-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2S,3aS,7aR)-6-[(2-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2S,3aS,7aR)-6-[(2-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone is COc1ccccc1CN1CC[C@H]2C[C@@H](C(=O)N3CCCC3)O[C@H]2C1.
What is the InChIKey of [(2S,3aS,7aR)-6-[(2-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KIRJVRFMUHQMRZ-SNRMKQJTSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-24-17-7-3-2-6-16(17)13-21-11-8-15-12-18(25-19(15)14-21)20(23)22-9-4-5-10-22/h2-3,6-7,15,18-19H,4-5,8-14H2,1H3/t15-,18-,19-/m0/s1.
What are the key properties of [(2S,3aS,7aR)-6-[(2-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
[(2S,3aS,7aR)-6-[(2-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 344.45 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aS,7aR)-6-[(2-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97364879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).