[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone

C19H23N3O2 — CID 124590097

IUPAC[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
SMILESC[C@H]1CN(C(=O)c2ccc(OCc3ccccn3)cc2)C[C@H](C)N1
InChIInChI=1S/C19H23N3O2/c1-14-11-22(12-15(2)21-14)19(23)16-6-8-18(9-7-16)24-13-17-5-3-4-10-20-17/h3-10,14-15,21H,11-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyDSIRODDFXSEGBS-GJZGRUSLSA-N
MW325.41 g/mol
LogP2.48
Rot. Bonds4

About [(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone

[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone (PubChem CID 124590097) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
PubChem CID124590097
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
SMILESC[C@H]1CN(C(=O)c2ccc(OCc3ccccn3)cc2)C[C@H](C)N1
InChIInChI=1S/C19H23N3O2/c1-14-11-22(12-15(2)21-14)19(23)16-6-8-18(9-7-16)24-13-17-5-3-4-10-20-17/h3-10,14-15,21H,11-13H2,1-2H3/t14-,15-/m0/s1
InChIKeyDSIRODDFXSEGBS-GJZGRUSLSA-N
XLogP2.48
TPSA54.46 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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124575554
(3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 71998730
(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788
(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride
CID 119564691
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 124590225
methyl 3-[(3S)-3-methyl-4-[4-(pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]propanoate
CID 97334916
(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
4-(pyridin-2-ylmethoxy)benzenecarbothioamide
CID 24690240
[(3R,4R)-3-hydroxy-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 133132232
(3,5-dimethylpiperazin-1-yl)-(4-iodophenyl)methanone
CID 63862421
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 71998635

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone?
The IUPAC name of [(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone (CID 124590097) is [(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone.
What is the SMILES notation for [(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone?
The canonical SMILES for [(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone is C[C@H]1CN(C(=O)c2ccc(OCc3ccccn3)cc2)C[C@H](C)N1.
What is the InChIKey of [(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone?
The InChIKey is DSIRODDFXSEGBS-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-11-22(12-15(2)21-14)19(23)16-6-8-18(9-7-16)24-13-17-5-3-4-10-20-17/h3-10,14-15,21H,11-13H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of [(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone?
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone has a molecular weight of 325.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 124590097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).