5-[[(3S)-1-[3-(2-oxopiperidin-1-yl)propanoyl]pyrrolidin-3-yl]methyl]-1H-pyridin-2-one

C18H25N3O3 — CID 97154346

IUPAC5-[[(3S)-1-[3-(2-oxopiperidin-1-yl)propanoyl]pyrrolidin-3-yl]methyl]-1H-pyridin-2-one
SMILESO=C1CCCCN1CCC(=O)N1CC[C@H](Cc2ccc(=O)[nH]c2)C1
InChIInChI=1S/C18H25N3O3/c22-16-5-4-14(12-19-16)11-15-6-9-21(13-15)18(24)7-10-20-8-2-1-3-17(20)23/h4-5,12,15H,1-3,6-11,13H2,(H,19,22)/t15-/m1/s1
InChIKeyYFBMQYRUXRPLAY-OAHLLOKOSA-N
MW331.42 g/mol
LogP1.17
Rot. Bonds5

About 5-[[(3S)-1-[3-(2-oxopiperidin-1-yl)propanoyl]pyrrolidin-3-yl]methyl]-1H-pyridin-2-one

5-[[(3S)-1-[3-(2-oxopiperidin-1-yl)propanoyl]pyrrolidin-3-yl]methyl]-1H-pyridin-2-one (PubChem CID 97154346) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-[[(3S)-1-[3-(2-oxopiperidin-1-yl)propanoyl]pyrrolidin-3-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[(3S)-1-[3-(2-oxopiperidin-1-yl)propanoyl]pyrrolidin-3-yl]methyl]-1H-pyridin-2-one
PubChem CID97154346
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name5-[[(3S)-1-[3-(2-oxopiperidin-1-yl)propanoyl]pyrrolidin-3-yl]methyl]-1H-pyridin-2-one
SMILESO=C1CCCCN1CCC(=O)N1CC[C@H](Cc2ccc(=O)[nH]c2)C1
InChIInChI=1S/C18H25N3O3/c22-16-5-4-14(12-19-16)11-15-6-9-21(13-15)18(24)7-10-20-8-2-1-3-17(20)23/h4-5,12,15H,1-3,6-11,13H2,(H,19,22)/t15-/m1/s1
InChIKeyYFBMQYRUXRPLAY-OAHLLOKOSA-N
XLogP1.17
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-1-[3-(2-oxopiperidin-1-yl)propanoyl]pyrrolidin-3-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[(3S)-1-[3-(2-oxopiperidin-1-yl)propanoyl]pyrrolidin-3-yl]methyl]-1H-pyridin-2-one (CID 97154346) is 5-[[(3S)-1-[3-(2-oxopiperidin-1-yl)propanoyl]pyrrolidin-3-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[(3S)-1-[3-(2-oxopiperidin-1-yl)propanoyl]pyrrolidin-3-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[(3S)-1-[3-(2-oxopiperidin-1-yl)propanoyl]pyrrolidin-3-yl]methyl]-1H-pyridin-2-one is O=C1CCCCN1CCC(=O)N1CC[C@H](Cc2ccc(=O)[nH]c2)C1.
What is the InChIKey of 5-[[(3S)-1-[3-(2-oxopiperidin-1-yl)propanoyl]pyrrolidin-3-yl]methyl]-1H-pyridin-2-one?
The InChIKey is YFBMQYRUXRPLAY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-16-5-4-14(12-19-16)11-15-6-9-21(13-15)18(24)7-10-20-8-2-1-3-17(20)23/h4-5,12,15H,1-3,6-11,13H2,(H,19,22)/t15-/m1/s1.
What are the key properties of 5-[[(3S)-1-[3-(2-oxopiperidin-1-yl)propanoyl]pyrrolidin-3-yl]methyl]-1H-pyridin-2-one?
5-[[(3S)-1-[3-(2-oxopiperidin-1-yl)propanoyl]pyrrolidin-3-yl]methyl]-1H-pyridin-2-one has a molecular weight of 331.42 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-1-[3-(2-oxopiperidin-1-yl)propanoyl]pyrrolidin-3-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 97154346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).