(4-ethoxypiperidin-1-yl)-[6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]methanone

C24H32N4O2 — CID 92621942

IUPAC(4-ethoxypiperidin-1-yl)-[6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]methanone
SMILESCCOC1CCN(C(=O)c2ccc([C@@H]3CCCN(Cc4ccccn4)C3)nc2)CC1
InChIInChI=1S/C24H32N4O2/c1-2-30-22-10-14-28(15-11-22)24(29)19-8-9-23(26-16-19)20-6-5-13-27(17-20)18-21-7-3-4-12-25-21/h3-4,7-9,12,16,20,22H,2,5-6,10-11,13-15,17-18H2,1H3/t20-/m1/s1
InChIKeyNPFYBJLGFBITDT-HXUWFJFHSA-N
MW408.55 g/mol
LogP3.50
Rot. Bonds6

About (4-ethoxypiperidin-1-yl)-[6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]methanone

(4-ethoxypiperidin-1-yl)-[6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]methanone (PubChem CID 92621942) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is (4-ethoxypiperidin-1-yl)-[6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethoxypiperidin-1-yl)-[6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]methanone
PubChem CID92621942
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name(4-ethoxypiperidin-1-yl)-[6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]methanone
SMILESCCOC1CCN(C(=O)c2ccc([C@@H]3CCCN(Cc4ccccn4)C3)nc2)CC1
InChIInChI=1S/C24H32N4O2/c1-2-30-22-10-14-28(15-11-22)24(29)19-8-9-23(26-16-19)20-6-5-13-27(17-20)18-21-7-3-4-12-25-21/h3-4,7-9,12,16,20,22H,2,5-6,10-11,13-15,17-18H2,1H3/t20-/m1/s1
InChIKeyNPFYBJLGFBITDT-HXUWFJFHSA-N
XLogP3.50
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-ethoxypiperidin-1-yl)-[6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]methanone with MolForge

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Related Compounds

2-[[(3S)-3-ethoxypiperidin-1-yl]methyl]pyridine
CID 95632872
N-[2-(2-methylphenoxy)ethyl]-6-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide
CID 110264343
N-[[2-(methoxymethyl)phenyl]methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide
CID 92622012
N-(2-cyclopentylethyl)-6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide
CID 92636232
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide
CID 92621934
(3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 71998730
[3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]-pyrrolidin-1-ylmethanone
CID 92577412
1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110090089
azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 5116844
[6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 92621580
(4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone
CID 121451790
(4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 56817726

Frequently Asked Questions

What is the IUPAC name of (4-ethoxypiperidin-1-yl)-[6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]methanone?
The IUPAC name of (4-ethoxypiperidin-1-yl)-[6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]methanone (CID 92621942) is (4-ethoxypiperidin-1-yl)-[6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]methanone.
What is the SMILES notation for (4-ethoxypiperidin-1-yl)-[6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]methanone?
The canonical SMILES for (4-ethoxypiperidin-1-yl)-[6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]methanone is CCOC1CCN(C(=O)c2ccc([C@@H]3CCCN(Cc4ccccn4)C3)nc2)CC1.
What is the InChIKey of (4-ethoxypiperidin-1-yl)-[6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]methanone?
The InChIKey is NPFYBJLGFBITDT-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-2-30-22-10-14-28(15-11-22)24(29)19-8-9-23(26-16-19)20-6-5-13-27(17-20)18-21-7-3-4-12-25-21/h3-4,7-9,12,16,20,22H,2,5-6,10-11,13-15,17-18H2,1H3/t20-/m1/s1.
What are the key properties of (4-ethoxypiperidin-1-yl)-[6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]methanone?
(4-ethoxypiperidin-1-yl)-[6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]methanone has a molecular weight of 408.55 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxypiperidin-1-yl)-[6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-3-pyridinyl]methanone is sourced from PubChem (CID 92621942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).