[(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone

C19H23N3O2 — CID 124575554

IUPAC[(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
SMILESCN[C@H]1CCCN(C(=O)c2ccc(OCc3ccccn3)cc2)C1
InChIInChI=1S/C19H23N3O2/c1-20-16-6-4-12-22(13-16)19(23)15-7-9-18(10-8-15)24-14-17-5-2-3-11-21-17/h2-3,5,7-11,16,20H,4,6,12-14H2,1H3/t16-/m0/s1
InChIKeyJDJKDYCYJVLKCK-INIZCTEOSA-N
MW325.41 g/mol
LogP2.48
Rot. Bonds5

About [(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone

[(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone (PubChem CID 124575554) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
PubChem CID124575554
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
SMILESCN[C@H]1CCCN(C(=O)c2ccc(OCc3ccccn3)cc2)C1
InChIInChI=1S/C19H23N3O2/c1-20-16-6-4-12-22(13-16)19(23)15-7-9-18(10-8-15)24-14-17-5-2-3-11-21-17/h2-3,5,7-11,16,20H,4,6,12-14H2,1H3/t16-/m0/s1
InChIKeyJDJKDYCYJVLKCK-INIZCTEOSA-N
XLogP2.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone with MolForge

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Related Compounds

(3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 71998730
[3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119490079
[3-(methylamino)piperidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119492407
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124590097
(2S)-1-[4-(pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 125147794
[4-(pyridin-2-ylmethoxy)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11617548
[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 91770782
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 71998635
[(3R)-3-(methylamino)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 124575485
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
[3-(methylamino)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)triazol-4-yl]methanone
CID 119492333
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone?
The IUPAC name of [(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone (CID 124575554) is [(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone.
What is the SMILES notation for [(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone?
The canonical SMILES for [(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone is CN[C@H]1CCCN(C(=O)c2ccc(OCc3ccccn3)cc2)C1.
What is the InChIKey of [(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone?
The InChIKey is JDJKDYCYJVLKCK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-20-16-6-4-12-22(13-16)19(23)15-7-9-18(10-8-15)24-14-17-5-2-3-11-21-17/h2-3,5,7-11,16,20H,4,6,12-14H2,1H3/t16-/m0/s1.
What are the key properties of [(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone?
[(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone has a molecular weight of 325.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 124575554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).