5-(furan-2-ylmethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidin-2-one

C18H26N2O3 — CID 45179438

IUPAC5-(furan-2-ylmethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidin-2-one
SMILESCC1CCN(C(=O)CCC2(Cc3ccco3)CCC(=O)N2)CC1
InChIInChI=1S/C18H26N2O3/c1-14-6-10-20(11-7-14)17(22)5-9-18(8-4-16(21)19-18)13-15-3-2-12-23-15/h2-3,12,14H,4-11,13H2,1H3,(H,19,21)
InChIKeyXAIFUZRVDMYFDC-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.51
Rot. Bonds5

About 5-(furan-2-ylmethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidin-2-one

5-(furan-2-ylmethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidin-2-one (PubChem CID 45179438) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 5-(furan-2-ylmethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(furan-2-ylmethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidin-2-one
PubChem CID45179438
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name5-(furan-2-ylmethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidin-2-one
SMILESCC1CCN(C(=O)CCC2(Cc3ccco3)CCC(=O)N2)CC1
InChIInChI=1S/C18H26N2O3/c1-14-6-10-20(11-7-14)17(22)5-9-18(8-4-16(21)19-18)13-15-3-2-12-23-15/h2-3,12,14H,4-11,13H2,1H3,(H,19,21)
InChIKeyXAIFUZRVDMYFDC-UHFFFAOYSA-N
XLogP2.51
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-1-[3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-3-carboxylate
CID 42472892
methyl 1-[3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-2-carboxylate
CID 126463204
(5S)-5-(furan-2-ylmethyl)-5-[3-[(3S)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 26326601
N-[(4-fluorophenyl)methyl]-3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 26278897
3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]propanamide
CID 45242132
N-[2-(cyclohexen-1-yl)ethyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45237272
5-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-oxopropyl]-5-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 45226329
N-(furan-2-ylmethyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113160970
(5S)-5-[(4-chlorophenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42449550
5-benzyl-5-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyrrolidin-2-one
CID 45218860
N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 26346628
3-[5-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrrolidin-2-yl]propanoic acid
CID 91779213

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidin-2-one?
The IUPAC name of 5-(furan-2-ylmethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidin-2-one (CID 45179438) is 5-(furan-2-ylmethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(furan-2-ylmethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidin-2-one?
The canonical SMILES for 5-(furan-2-ylmethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidin-2-one is CC1CCN(C(=O)CCC2(Cc3ccco3)CCC(=O)N2)CC1.
What is the InChIKey of 5-(furan-2-ylmethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidin-2-one?
The InChIKey is XAIFUZRVDMYFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14-6-10-20(11-7-14)17(22)5-9-18(8-4-16(21)19-18)13-15-3-2-12-23-15/h2-3,12,14H,4-11,13H2,1H3,(H,19,21).
What are the key properties of 5-(furan-2-ylmethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidin-2-one?
5-(furan-2-ylmethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidin-2-one has a molecular weight of 318.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidin-2-one is sourced from PubChem (CID 45179438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).