[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone

C19H23N3O2 — CID 124691848

IUPAC[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
SMILESC[C@@H]1C[C@@H](N)CCN1C(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C19H23N3O2/c1-14-10-17(20)7-9-22(14)19(23)16-5-2-6-18(11-16)24-13-15-4-3-8-21-12-15/h2-6,8,11-12,14,17H,7,9-10,13,20H2,1H3/t14-,17+/m1/s1
InChIKeyWIBXZSIQADQUNC-PBHICJAKSA-N
MW325.41 g/mol
LogP2.61
Rot. Bonds4

About [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone

[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone (PubChem CID 124691848) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
PubChem CID124691848
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
SMILESC[C@@H]1C[C@@H](N)CCN1C(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C19H23N3O2/c1-14-10-17(20)7-9-22(14)19(23)16-5-2-6-18(11-16)24-13-15-4-3-8-21-12-15/h2-6,8,11-12,14,17H,7,9-10,13,20H2,1H3/t14-,17+/m1/s1
InChIKeyWIBXZSIQADQUNC-PBHICJAKSA-N
XLogP2.61
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-2-methylpiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 122149100
[(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
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid
CID 102553843
[4-(1-aminoethyl)piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119517993
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 119349727
(4-methylsulfonylpiperazin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 55822313
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124692147
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide
CID 124691675
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
CID 124691868

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
The IUPAC name of [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone (CID 124691848) is [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone.
What is the SMILES notation for [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
The canonical SMILES for [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone is C[C@@H]1C[C@@H](N)CCN1C(=O)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
The InChIKey is WIBXZSIQADQUNC-PBHICJAKSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-10-17(20)7-9-22(14)19(23)16-5-2-6-18(11-16)24-13-15-4-3-8-21-12-15/h2-6,8,11-12,14,17H,7,9-10,13,20H2,1H3/t14-,17+/m1/s1.
What are the key properties of [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone has a molecular weight of 325.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 124691848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).