[(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone

C21H26N2O3 — CID 124806862

IUPAC[(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CC[C@H](N2CCOCC2)[C@H]1Cc1ccccc1
InChIInChI=1S/C21H26N2O3/c1-16-18(8-12-26-16)21(24)23-9-7-19(22-10-13-25-14-11-22)20(23)15-17-5-3-2-4-6-17/h2-6,8,12,19-20H,7,9-11,13-15H2,1H3/t19-,20+/m0/s1
InChIKeyHDEYTQRMFCQRAB-VQTJNVASSA-N
MW354.45 g/mol
LogP2.75
Rot. Bonds4

About [(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone

[(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 124806862) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is [(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID124806862
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name[(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CC[C@H](N2CCOCC2)[C@H]1Cc1ccccc1
InChIInChI=1S/C21H26N2O3/c1-16-18(8-12-26-16)21(24)23-9-7-19(22-10-13-25-14-11-22)20(23)15-17-5-3-2-4-6-17/h2-6,8,12,19-20H,7,9-11,13-15H2,1H3/t19-,20+/m0/s1
InChIKeyHDEYTQRMFCQRAB-VQTJNVASSA-N
XLogP2.75
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(furan-2-yl)methanone
CID 97384312
[(2S,3S)-2-benzyl-3-methoxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 97470449
[(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 124792962
furan-2-yl-[(2S,3R)-3-morpholin-4-yl-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 97471088
furan-2-yl-[(2R,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 125215138
furan-2-yl-[(2R,3S)-3-morpholin-4-yl-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 124787611
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 102787648
3-benzyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 45238924
[(2R,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 124835252
[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 97471026
[(3aS,6aR)-1-(pyridin-2-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(2-methylfuran-3-yl)methanone
CID 124806761
[(3aS,7R,7aS)-7-(cyclopropylmethoxy)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-4-yl]-(2-methylfuran-3-yl)methanone
CID 97485675

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone (CID 124806862) is [(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CC[C@H](N2CCOCC2)[C@H]1Cc1ccccc1.
What is the InChIKey of [(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is HDEYTQRMFCQRAB-VQTJNVASSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-18(8-12-26-16)21(24)23-9-7-19(22-10-13-25-14-11-22)20(23)15-17-5-3-2-4-6-17/h2-6,8,12,19-20H,7,9-11,13-15H2,1H3/t19-,20+/m0/s1.
What are the key properties of [(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
[(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 124806862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).