[(2S)-2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone

C21H26N2O2 — CID 95591260

IUPAC[(2S)-2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC[C@H]1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26N2O2/c24-21(20-9-5-15-25-20)23-12-4-8-19(23)18-10-13-22(14-11-18)16-17-6-2-1-3-7-17/h1-3,5-7,9,15,18-19H,4,8,10-14,16H2/t19-/m0/s1
InChIKeyWLTBDSUZAQGFNA-IBGZPJMESA-N
MW338.45 g/mol
LogP3.80
Rot. Bonds4

About [(2S)-2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone

[(2S)-2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone (PubChem CID 95591260) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is [(2S)-2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone
PubChem CID95591260
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name[(2S)-2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC[C@H]1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26N2O2/c24-21(20-9-5-15-25-20)23-12-4-8-19(23)18-10-13-22(14-11-18)16-17-6-2-1-3-7-17/h1-3,5-7,9,15,18-19H,4,8,10-14,16H2/t19-/m0/s1
InChIKeyWLTBDSUZAQGFNA-IBGZPJMESA-N
XLogP3.80
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperazin-1-yl)-[1-(furan-2-carbonyl)piperidin-2-yl]methanone
CID 55973734
N-(1-benzylpiperidin-4-yl)-N-cyclopropylfuran-2-carboxamide
CID 3256683
[2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 74554943
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
CID 55460818
N-(1-benzylpiperidin-4-yl)-N-[(2-chlorophenyl)methyl]furan-2-carboxamide
CID 42696491
(2R)-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 98785746
1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79540989
(2S)-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55941269
[(4aR,8aS)-6-(2-phenylethyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-[4-(furan-2-yl)phenyl]methanone
CID 26343798
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
(4-benzylpiperazin-1-yl)-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone
CID 43008282
(2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide
CID 32581229

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [(2S)-2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone (CID 95591260) is [(2S)-2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(2S)-2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(2S)-2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC[C@H]1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [(2S)-2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is WLTBDSUZAQGFNA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2O2/c24-21(20-9-5-15-25-20)23-12-4-8-19(23)18-10-13-22(14-11-18)16-17-6-2-1-3-7-17/h1-3,5-7,9,15,18-19H,4,8,10-14,16H2/t19-/m0/s1.
What are the key properties of [(2S)-2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone?
[(2S)-2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 338.45 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 95591260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).