[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone

C19H28N2O2 — CID 95122157

IUPAC[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
SMILESCCCC[C@@H]1C=CCN1C(=O)C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C19H28N2O2/c1-2-3-6-17-7-4-11-21(17)19(22)16-9-12-20(13-10-16)15-18-8-5-14-23-18/h4-5,7-8,14,16-17H,2-3,6,9-13,15H2,1H3/t17-/m1/s1
InChIKeyHKBVWZVBXIXLPO-QGZVFWFLSA-N
MW316.44 g/mol
LogP3.45
Rot. Bonds6

About [(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone

[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone (PubChem CID 95122157) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is [(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
PubChem CID95122157
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
SMILESCCCC[C@@H]1C=CCN1C(=O)C1CCN(Cc2ccco2)CC1
InChIInChI=1S/C19H28N2O2/c1-2-3-6-17-7-4-11-21(17)19(22)16-9-12-20(13-10-16)15-18-8-5-14-23-18/h4-5,7-8,14,16-17H,2-3,6,9-13,15H2,1H3/t17-/m1/s1
InChIKeyHKBVWZVBXIXLPO-QGZVFWFLSA-N
XLogP3.45
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[1-(furan-2-ylmethyl)piperidin-4-yl]-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone
CID 97140501
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 97147422
(2S,4S)-4-amino-N-ethyl-1-[1-(furan-2-ylmethyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide
CID 56720181
[4-(furan-2-ylmethyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-4-yl]methanone
CID 74248102
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 56915482
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
N-(2-ethylsulfanylphenyl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 131949045
(3S,4S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-4-propylpyrrolidine-3-carboxylic acid
CID 70736683
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
N-(4-ethyl-3-methyl-1,2-oxazol-5-yl)-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 134698283
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 133120871
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 97201180

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone?
The IUPAC name of [(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone (CID 95122157) is [(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone.
What is the SMILES notation for [(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone?
The canonical SMILES for [(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone is CCCC[C@@H]1C=CCN1C(=O)C1CCN(Cc2ccco2)CC1.
What is the InChIKey of [(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone?
The InChIKey is HKBVWZVBXIXLPO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-2-3-6-17-7-4-11-21(17)19(22)16-9-12-20(13-10-16)15-18-8-5-14-23-18/h4-5,7-8,14,16-17H,2-3,6,9-13,15H2,1H3/t17-/m1/s1.
What are the key properties of [(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone?
[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone has a molecular weight of 316.44 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 95122157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).