1-(furan-2-ylmethyl)-N-[(3S)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]piperidine-4-carboxamide

C22H27N3O3 — CID 97205093

IUPAC1-(furan-2-ylmethyl)-N-[(3S)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]piperidine-4-carboxamide
SMILESCc1cccc(N2C[C@@H](NC(=O)C3CCN(Cc4ccco4)CC3)CC2=O)c1
InChIInChI=1S/C22H27N3O3/c1-16-4-2-5-19(12-16)25-14-18(13-21(25)26)23-22(27)17-7-9-24(10-8-17)15-20-6-3-11-28-20/h2-6,11-12,17-18H,7-10,13-15H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeyZZTGGATWYUVJCJ-SFHVURJKSA-N
MW381.48 g/mol
LogP2.72
Rot. Bonds5

About 1-(furan-2-ylmethyl)-N-[(3S)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]piperidine-4-carboxamide

1-(furan-2-ylmethyl)-N-[(3S)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]piperidine-4-carboxamide (PubChem CID 97205093) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-[(3S)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-[(3S)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]piperidine-4-carboxamide
PubChem CID97205093
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-(furan-2-ylmethyl)-N-[(3S)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]piperidine-4-carboxamide
SMILESCc1cccc(N2C[C@@H](NC(=O)C3CCN(Cc4ccco4)CC3)CC2=O)c1
InChIInChI=1S/C22H27N3O3/c1-16-4-2-5-19(12-16)25-14-18(13-21(25)26)23-22(27)17-7-9-24(10-8-17)15-20-6-3-11-28-20/h2-6,11-12,17-18H,7-10,13-15H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeyZZTGGATWYUVJCJ-SFHVURJKSA-N
XLogP2.72
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(furan-2-ylmethyl)-N-[(3S)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

ethyl 4-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 113185977
2-(3-methyl-1,2-oxazol-5-yl)-N-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 91768696
1-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
CID 7215524
N-(1,1-dioxothiolan-3-yl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185972
N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide
CID 7255351
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]cyclohexanecarboxamide
CID 7255350
2-(3-methylphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254986
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 91775679
1-(furan-2-ylmethyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 51263184
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39315004
(3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 28892198
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide
CID 16896180

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-[(3S)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-[(3S)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]piperidine-4-carboxamide (CID 97205093) is 1-(furan-2-ylmethyl)-N-[(3S)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-[(3S)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-[(3S)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]piperidine-4-carboxamide is Cc1cccc(N2C[C@@H](NC(=O)C3CCN(Cc4ccco4)CC3)CC2=O)c1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-[(3S)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]piperidine-4-carboxamide?
The InChIKey is ZZTGGATWYUVJCJ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-4-2-5-19(12-16)25-14-18(13-21(25)26)23-22(27)17-7-9-24(10-8-17)15-20-6-3-11-28-20/h2-6,11-12,17-18H,7-10,13-15H2,1H3,(H,23,27)/t18-/m0/s1.
What are the key properties of 1-(furan-2-ylmethyl)-N-[(3S)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]piperidine-4-carboxamide?
1-(furan-2-ylmethyl)-N-[(3S)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]piperidine-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-[(3S)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 97205093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).