[(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone

C20H31N3O — CID 126435090

IUPAC[(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESCCN1CCC[C@](C)(C(=O)N2CCC(Cc3cccnc3)CC2)C1
InChIInChI=1S/C20H31N3O/c1-3-22-11-5-9-20(2,16-22)19(24)23-12-7-17(8-13-23)14-18-6-4-10-21-15-18/h4,6,10,15,17H,3,5,7-9,11-14,16H2,1-2H3/t20-/m0/s1
InChIKeyGAFDDVYAYSAQDF-FQEVSTJZSA-N
MW329.49 g/mol
LogP2.98
Rot. Bonds4

About [(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone

[(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (PubChem CID 126435090) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is [(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
PubChem CID126435090
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name[(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESCCN1CCC[C@](C)(C(=O)N2CCC(Cc3cccnc3)CC2)C1
InChIInChI=1S/C20H31N3O/c1-3-22-11-5-9-20(2,16-22)19(24)23-12-7-17(8-13-23)14-18-6-4-10-21-15-18/h4,6,10,15,17H,3,5,7-9,11-14,16H2,1-2H3/t20-/m0/s1
InChIKeyGAFDDVYAYSAQDF-FQEVSTJZSA-N
XLogP2.98
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 170372559
[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768
(4S)-1,5,5-trimethyl-4-[4-(pyridin-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 126428390
2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 119068773
2-hydroxy-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110269394
3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine
CID 120903790
[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 136519932
2-(4-fluorophenyl)-1-[4-methyl-4-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 124977722
(1-ethyl-3-methylpiperidin-3-yl)-[4-[4-(2-hydroxypropan-2-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 46984877
2-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124995664
2-(4-methylcyclohexyl)oxy-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 136538935

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (CID 126435090) is [(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is CCN1CCC[C@](C)(C(=O)N2CCC(Cc3cccnc3)CC2)C1.
What is the InChIKey of [(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is GAFDDVYAYSAQDF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H31N3O/c1-3-22-11-5-9-20(2,16-22)19(24)23-12-7-17(8-13-23)14-18-6-4-10-21-15-18/h4,6,10,15,17H,3,5,7-9,11-14,16H2,1-2H3/t20-/m0/s1.
What are the key properties of [(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
[(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 329.49 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126435090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).