[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone

C19H23N3O — CID 99926517

IUPAC[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
SMILESCCc1ccc(CN2CCC[C@H](C(=O)c3ccccn3)C2)nc1
InChIInChI=1S/C19H23N3O/c1-2-15-8-9-17(21-12-15)14-22-11-5-6-16(13-22)19(23)18-7-3-4-10-20-18/h3-4,7-10,12,16H,2,5-6,11,13-14H2,1H3/t16-/m0/s1
InChIKeyJIMYACOFFBLEEG-INIZCTEOSA-N
MW309.41 g/mol
LogP3.13
Rot. Bonds5

About [(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone

[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone (PubChem CID 99926517) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
PubChem CID99926517
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
SMILESCCc1ccc(CN2CCC[C@H](C(=O)c3ccccn3)C2)nc1
InChIInChI=1S/C19H23N3O/c1-2-15-8-9-17(21-12-15)14-22-11-5-6-16(13-22)19(23)18-7-3-4-10-20-18/h3-4,7-10,12,16H,2,5-6,11,13-14H2,1H3/t16-/m0/s1
InChIKeyJIMYACOFFBLEEG-INIZCTEOSA-N
XLogP3.13
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

[(3S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99929635
[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99959880
[(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 26408898
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 131945300
4-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]benzoic acid
CID 72938414
azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 5116844
[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 77091978
5-ethyl-2-(piperidin-1-ylmethyl)pyridine
CID 58495459
[(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124852139
(4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 4551047
[(3S)-1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124757098
[1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 91829986

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone (CID 99926517) is [(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone is CCc1ccc(CN2CCC[C@H](C(=O)c3ccccn3)C2)nc1.
What is the InChIKey of [(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone?
The InChIKey is JIMYACOFFBLEEG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-15-8-9-17(21-12-15)14-22-11-5-6-16(13-22)19(23)18-7-3-4-10-20-18/h3-4,7-10,12,16H,2,5-6,11,13-14H2,1H3/t16-/m0/s1.
What are the key properties of [(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone?
[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone has a molecular weight of 309.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 99926517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).