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

C20H25N3O2 — CID 124692147

IUPAC[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
SMILESC[C@H](N)[C@@H]1CCCN(C(=O)c2cccc(OCc3cccnc3)c2)C1
InChIInChI=1S/C20H25N3O2/c1-15(21)18-7-4-10-23(13-18)20(24)17-6-2-8-19(11-17)25-14-16-5-3-9-22-12-16/h2-3,5-6,8-9,11-12,15,18H,4,7,10,13-14,21H2,1H3/t15-,18+/m0/s1
InChIKeyJBAITMZLJRGNIL-MAUKXSAKSA-N
MW339.44 g/mol
LogP2.86
Rot. Bonds5

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

[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone (PubChem CID 124692147) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
PubChem CID124692147
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
SMILESC[C@H](N)[C@@H]1CCCN(C(=O)c2cccc(OCc3cccnc3)c2)C1
InChIInChI=1S/C20H25N3O2/c1-15(21)18-7-4-10-23(13-18)20(24)17-6-2-8-19(11-17)25-14-16-5-3-9-22-12-16/h2-3,5-6,8-9,11-12,15,18H,4,7,10,13-14,21H2,1H3/t15-,18+/m0/s1
InChIKeyJBAITMZLJRGNIL-MAUKXSAKSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119517993
[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 119410482
[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119410481
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124689326
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 124686638
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 124691184
[3-(1-aminoethyl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119594920
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 119349727
(4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 86826233
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyrazin-2-ylamino)phenyl]methanone
CID 124690900
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 81487520
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-ethoxy-4-(pyridin-4-ylmethoxy)phenyl]methanone
CID 124592250

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
The IUPAC name of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone (CID 124692147) is [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone.
What is the SMILES notation for [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
The canonical SMILES for [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone is C[C@H](N)[C@@H]1CCCN(C(=O)c2cccc(OCc3cccnc3)c2)C1.
What is the InChIKey of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
The InChIKey is JBAITMZLJRGNIL-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(21)18-7-4-10-23(13-18)20(24)17-6-2-8-19(11-17)25-14-16-5-3-9-22-12-16/h2-3,5-6,8-9,11-12,15,18H,4,7,10,13-14,21H2,1H3/t15-,18+/m0/s1.
What are the key properties of [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone has a molecular weight of 339.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 124692147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).