(3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone

C18H21N3O — CID 110662556

IUPAC(3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
SMILESCC1CN(C(=O)c2ccccn2)CC(C)N1c1ccccc1
InChIInChI=1S/C18H21N3O/c1-14-12-20(18(22)17-10-6-7-11-19-17)13-15(2)21(14)16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3
InChIKeyJNDFFQLPWOLCPD-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.82
Rot. Bonds2

About (3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone

(3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone (PubChem CID 110662556) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
PubChem CID110662556
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
SMILESCC1CN(C(=O)c2ccccn2)CC(C)N1c1ccccc1
InChIInChI=1S/C18H21N3O/c1-14-12-20(18(22)17-10-6-7-11-19-17)13-15(2)21(14)16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3
InChIKeyJNDFFQLPWOLCPD-UHFFFAOYSA-N
XLogP2.82
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110741099
(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride
CID 119564691
5-phenyl-2-(pyridine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 131659549
[3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone
CID 121184939
(3,5-dimethyl-4-phenylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 110602244
(4-aminophenyl)-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 89180119
(3,5-dimethyl-4-phenylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 110616585
(2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 63911767
cyclopentyl-(3,5-dimethyl-4-phenylpiperazin-1-yl)methanone
CID 110413099
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-pyridin-2-ylmethanone
CID 134706148
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone?
The IUPAC name of (3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone (CID 110662556) is (3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone is CC1CN(C(=O)c2ccccn2)CC(C)N1c1ccccc1.
What is the InChIKey of (3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone?
The InChIKey is JNDFFQLPWOLCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14-12-20(18(22)17-10-6-7-11-19-17)13-15(2)21(14)16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of (3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone?
(3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone has a molecular weight of 295.39 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 110662556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).