[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[(3R)-3-methylpiperazin-1-yl]methanone

C20H25N3O2 — CID 124620670

IUPAC[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN[C@H](C)C2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C20H25N3O2/c1-14-9-18(20(24)23-8-7-22-16(3)12-23)10-15(2)19(14)25-13-17-5-4-6-21-11-17/h4-6,9-11,16,22H,7-8,12-13H2,1-3H3/t16-/m1/s1
InChIKeyQGOKEQMKBJMVBX-MRXNPFEDSA-N
MW339.44 g/mol
LogP2.71
Rot. Bonds4

About [3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[(3R)-3-methylpiperazin-1-yl]methanone

[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[(3R)-3-methylpiperazin-1-yl]methanone (PubChem CID 124620670) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[(3R)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[(3R)-3-methylpiperazin-1-yl]methanone
PubChem CID124620670
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[(3R)-3-methylpiperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN[C@H](C)C2)cc(C)c1OCc1cccnc1
InChIInChI=1S/C20H25N3O2/c1-14-9-18(20(24)23-8-7-22-16(3)12-23)10-15(2)19(14)25-13-17-5-4-6-21-11-17/h4-6,9-11,16,22H,7-8,12-13H2,1-3H3/t16-/m1/s1
InChIKeyQGOKEQMKBJMVBX-MRXNPFEDSA-N
XLogP2.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxamide
CID 39717853
[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112823978
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124696407
4-[[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methyl]benzamide
CID 112827508
2-[4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 52588754
1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid
CID 102553984
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55699320
4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]morpholine-3-carboxylic acid
CID 120521755
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 71895409
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613865

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[(3R)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of [3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[(3R)-3-methylpiperazin-1-yl]methanone (CID 124620670) is [3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[(3R)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for [3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[(3R)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for [3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[(3R)-3-methylpiperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN[C@H](C)C2)cc(C)c1OCc1cccnc1.
What is the InChIKey of [3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[(3R)-3-methylpiperazin-1-yl]methanone?
The InChIKey is QGOKEQMKBJMVBX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-9-18(20(24)23-8-7-22-16(3)12-23)10-15(2)19(14)25-13-17-5-4-6-21-11-17/h4-6,9-11,16,22H,7-8,12-13H2,1-3H3/t16-/m1/s1.
What are the key properties of [3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[(3R)-3-methylpiperazin-1-yl]methanone?
[3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[(3R)-3-methylpiperazin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-(pyridin-3-ylmethoxy)phenyl]-[(3R)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 124620670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).