1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one

C17H23N3O2 — CID 99116117

IUPAC1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one
SMILESO=C(CCc1cccnc1)N1CCC[C@H](N2CCCC2=O)C1
InChIInChI=1S/C17H23N3O2/c21-16(8-7-14-4-1-9-18-12-14)19-10-2-5-15(13-19)20-11-3-6-17(20)22/h1,4,9,12,15H,2-3,5-8,10-11,13H2/t15-/m0/s1
InChIKeyWXDGLHXPQKRFGM-HNNXBMFYSA-N
MW301.39 g/mol
LogP1.63
Rot. Bonds4

About 1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one

1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one (PubChem CID 99116117) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one
PubChem CID99116117
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one
SMILESO=C(CCc1cccnc1)N1CCC[C@H](N2CCCC2=O)C1
InChIInChI=1S/C17H23N3O2/c21-16(8-7-14-4-1-9-18-12-14)19-10-2-5-15(13-19)20-11-3-6-17(20)22/h1,4,9,12,15H,2-3,5-8,10-11,13H2/t15-/m0/s1
InChIKeyWXDGLHXPQKRFGM-HNNXBMFYSA-N
XLogP1.63
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126426374
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 125012670
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 81487520
N-[1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]acetamide
CID 75461375
1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78981202
3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124553959
3-pyridin-3-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 114289950
3-pyridin-3-yl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 91768791
1-[1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one
CID 56821767
5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514288
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 115746441
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70742706

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one (CID 99116117) is 1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one is O=C(CCc1cccnc1)N1CCC[C@H](N2CCCC2=O)C1.
What is the InChIKey of 1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one?
The InChIKey is WXDGLHXPQKRFGM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16(8-7-14-4-1-9-18-12-14)19-10-2-5-15(13-19)20-11-3-6-17(20)22/h1,4,9,12,15H,2-3,5-8,10-11,13H2/t15-/m0/s1.
What are the key properties of 1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one?
1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one has a molecular weight of 301.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 99116117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).