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

C18H22N4O3 — CID 95273779

IUPAC(4S)-1-(furan-2-ylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1C[C@H](C(=O)N2CCC[C@H](n3cccn3)C2)CN1Cc1ccco1
InChIInChI=1S/C18H22N4O3/c23-17-10-14(11-21(17)13-16-5-2-9-25-16)18(24)20-7-1-4-15(12-20)22-8-3-6-19-22/h2-3,5-6,8-9,14-15H,1,4,7,10-13H2/t14-,15-/m0/s1
InChIKeyGOAPTNCZHFUOEB-GJZGRUSLSA-N
MW342.40 g/mol
LogP1.69
Rot. Bonds4

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

(4S)-1-(furan-2-ylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95273779) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (4S)-1-(furan-2-ylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(furan-2-ylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID95273779
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(4S)-1-(furan-2-ylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1C[C@H](C(=O)N2CCC[C@H](n3cccn3)C2)CN1Cc1ccco1
InChIInChI=1S/C18H22N4O3/c23-17-10-14(11-21(17)13-16-5-2-9-25-16)18(24)20-7-1-4-15(12-20)22-8-3-6-19-22/h2-3,5-6,8-9,14-15H,1,4,7,10-13H2/t14-,15-/m0/s1
InChIKeyGOAPTNCZHFUOEB-GJZGRUSLSA-N
XLogP1.69
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(furan-2-ylmethyl)-4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110886753
(4S)-1-(cyclopropylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158276
(4R)-1-(cyclopropylmethyl)-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158273
3-[(3S)-1-[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 124700679
(4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158638
1-(furan-2-ylmethyl)-4-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55950449
1-(furan-2-ylmethyl)-4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 110023696
(4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95312335
1-(furan-2-ylmethyl)-4-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 112763061
(4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 99998905
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
(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

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(furan-2-ylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(furan-2-ylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one (CID 95273779) is (4S)-1-(furan-2-ylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(furan-2-ylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(furan-2-ylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one is O=C1C[C@H](C(=O)N2CCC[C@H](n3cccn3)C2)CN1Cc1ccco1.
What is the InChIKey of (4S)-1-(furan-2-ylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is GOAPTNCZHFUOEB-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-17-10-14(11-21(17)13-16-5-2-9-25-16)18(24)20-7-1-4-15(12-20)22-8-3-6-19-22/h2-3,5-6,8-9,14-15H,1,4,7,10-13H2/t14-,15-/m0/s1.
What are the key properties of (4S)-1-(furan-2-ylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-(furan-2-ylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 342.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(furan-2-ylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95273779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).