[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone

C20H25N3O2 — CID 124689326

IUPAC[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
SMILESC[C@@H](N)[C@@H]1CCCCN1C(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C20H25N3O2/c1-15(21)19-9-2-3-11-23(19)20(24)17-7-4-8-18(12-17)25-14-16-6-5-10-22-13-16/h4-8,10,12-13,15,19H,2-3,9,11,14,21H2,1H3/t15-,19+/m1/s1
InChIKeyYSDAXEJZYSHDRM-BEFAXECRSA-N
MW339.44 g/mol
LogP3.00
Rot. Bonds5

About [(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone

[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone (PubChem CID 124689326) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
PubChem CID124689326
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
SMILESC[C@@H](N)[C@@H]1CCCCN1C(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C20H25N3O2/c1-15(21)19-9-2-3-11-23(19)20(24)17-7-4-8-18(12-17)25-14-16-6-5-10-22-13-16/h4-8,10,12-13,15,19H,2-3,9,11,14,21H2,1H3/t15-,19+/m1/s1
InChIKeyYSDAXEJZYSHDRM-BEFAXECRSA-N
XLogP3.00
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone with MolForge

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Related Compounds

1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid
CID 102553843
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038925
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038922
[2-(1-aminoethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 119434742
[4-(1-aminoethyl)piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119517993
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124692147
[2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119437516
[2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119435796
(4-amino-2-methylpiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 122149100
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124691848
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 119349727
[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 119410482

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
The IUPAC name of [(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone (CID 124689326) is [(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone.
What is the SMILES notation for [(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
The canonical SMILES for [(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone is C[C@@H](N)[C@@H]1CCCCN1C(=O)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of [(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
The InChIKey is YSDAXEJZYSHDRM-BEFAXECRSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(21)19-9-2-3-11-23(19)20(24)17-7-4-8-18(12-17)25-14-16-6-5-10-22-13-16/h4-8,10,12-13,15,19H,2-3,9,11,14,21H2,1H3/t15-,19+/m1/s1.
What are the key properties of [(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone has a molecular weight of 339.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 124689326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).