1-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]pyrrolidin-2-one

C16H23N3O — CID 125002978

IUPAC1-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@H]1CCCN(Cc2ccncc2)C1
InChIInChI=1S/C16H23N3O/c20-16-4-2-10-19(16)13-15-3-1-9-18(12-15)11-14-5-7-17-8-6-14/h5-8,15H,1-4,9-13H2/t15-/m0/s1
InChIKeySOEJLQSNCTWCMZ-HNNXBMFYSA-N
MW273.38 g/mol
LogP1.92
Rot. Bonds4

About 1-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]pyrrolidin-2-one

1-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]pyrrolidin-2-one (PubChem CID 125002978) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]pyrrolidin-2-one
PubChem CID125002978
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@H]1CCCN(Cc2ccncc2)C1
InChIInChI=1S/C16H23N3O/c20-16-4-2-10-19(16)13-15-3-1-9-18(12-15)11-14-5-7-17-8-6-14/h5-8,15H,1-4,9-13H2/t15-/m0/s1
InChIKeySOEJLQSNCTWCMZ-HNNXBMFYSA-N
XLogP1.92
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(6S)-8-(pyridin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
CID 97462867
1-[[(3R,3aS,7aS)-5-(pyridin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one
CID 124812674
1-[[1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]pyrrolidin-2-one
CID 46967162
4-[[3-(2-bromoethyl)piperidin-1-yl]methyl]pyridine
CID 80690340
1-[[8-(pyridin-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155831111
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 62582223
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 54794504
4-[(3-methylpiperidin-1-yl)methyl]pyridine
CID 121401070
4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110258581
4-[(3-fluoropiperidin-1-yl)methyl]pyridine
CID 171701781
1-[[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methyl]pyrrolidin-2-one
CID 56760356
1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine
CID 171130429

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]pyrrolidin-2-one (CID 125002978) is 1-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]pyrrolidin-2-one is O=C1CCCN1C[C@H]1CCCN(Cc2ccncc2)C1.
What is the InChIKey of 1-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is SOEJLQSNCTWCMZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16-4-2-10-19(16)13-15-3-1-9-18(12-15)11-14-5-7-17-8-6-14/h5-8,15H,1-4,9-13H2/t15-/m0/s1.
What are the key properties of 1-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]pyrrolidin-2-one?
1-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 273.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 125002978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).