(4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one

C20H23N3O3 — CID 99998905

IUPAC(4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCCC[C@H]2c2cccnc2)CN1Cc1ccco1
InChIInChI=1S/C20H23N3O3/c24-19-11-16(13-22(19)14-17-6-4-10-26-17)20(25)23-9-2-1-7-18(23)15-5-3-8-21-12-15/h3-6,8,10,12,16,18H,1-2,7,9,11,13-14H2/t16-,18+/m1/s1
InChIKeyQYEREGIDYOOQHV-AEFFLSMTSA-N
MW353.42 g/mol
LogP2.78
Rot. Bonds4

About (4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 99998905) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID99998905
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1C[C@@H](C(=O)N2CCCC[C@H]2c2cccnc2)CN1Cc1ccco1
InChIInChI=1S/C20H23N3O3/c24-19-11-16(13-22(19)14-17-6-4-10-26-17)20(25)23-9-2-1-7-18(23)15-5-3-8-21-12-15/h3-6,8,10,12,16,18H,1-2,7,9,11,13-14H2/t16-,18+/m1/s1
InChIKeyQYEREGIDYOOQHV-AEFFLSMTSA-N
XLogP2.78
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95312335
1-(2-phenylethyl)-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 162990301
3-[(2R)-1-[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 124701269
(4S)-1-(furan-2-ylmethyl)-4-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94136051
4-[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 55329253
(4S)-4-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 100909787
4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 51270023
4-(2,4-dimethylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 71877105
(4S)-4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 100892241
4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 51207395
(4S)-1-(furan-2-ylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95273779
(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2R)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 129354842

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one (CID 99998905) is (4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one is O=C1C[C@@H](C(=O)N2CCCC[C@H]2c2cccnc2)CN1Cc1ccco1.
What is the InChIKey of (4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is QYEREGIDYOOQHV-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19-11-16(13-22(19)14-17-6-4-10-26-17)20(25)23-9-2-1-7-18(23)15-5-3-8-21-12-15/h3-6,8,10,12,16,18H,1-2,7,9,11,13-14H2/t16-,18+/m1/s1.
What are the key properties of (4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 353.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 99998905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).