(2,5-dimethylpiperazin-1-yl)-(3-propoxyphenyl)methanone

C16H24N2O2 — CID 64979486

IUPAC(2,5-dimethylpiperazin-1-yl)-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)N2CC(C)NCC2C)c1
InChIInChI=1S/C16H24N2O2/c1-4-8-20-15-7-5-6-14(9-15)16(19)18-11-12(2)17-10-13(18)3/h5-7,9,12-13,17H,4,8,10-11H2,1-3H3
InChIKeyHXTZHNQQBPDUOF-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.30
Rot. Bonds4

About (2,5-dimethylpiperazin-1-yl)-(3-propoxyphenyl)methanone

(2,5-dimethylpiperazin-1-yl)-(3-propoxyphenyl)methanone (PubChem CID 64979486) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2,5-dimethylpiperazin-1-yl)-(3-propoxyphenyl)methanone.

Molecular Properties

Compound Name(2,5-dimethylpiperazin-1-yl)-(3-propoxyphenyl)methanone
PubChem CID64979486
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2,5-dimethylpiperazin-1-yl)-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)N2CC(C)NCC2C)c1
InChIInChI=1S/C16H24N2O2/c1-4-8-20-15-7-5-6-14(9-15)16(19)18-11-12(2)17-10-13(18)3/h5-7,9,12-13,17H,4,8,10-11H2,1-3H3
InChIKeyHXTZHNQQBPDUOF-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 64979494
(3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64980085
[2-(bromomethyl)-5-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone
CID 81214136
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 79410069
1-(3-propoxybenzoyl)piperidine-2-carboxylic acid
CID 62406215
[(3R)-3-aminopyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 81469149
(3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 107702962
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
CID 124589051
(4-methylcyclohexyl)-(3-propoxyphenyl)methanone
CID 114975149
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3-propoxyphenyl)methanone
CID 102938425
1,3-benzodioxol-5-yl-(2,5-dimethylpiperazin-1-yl)methanone
CID 64980042
(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731539

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpiperazin-1-yl)-(3-propoxyphenyl)methanone?
The IUPAC name of (2,5-dimethylpiperazin-1-yl)-(3-propoxyphenyl)methanone (CID 64979486) is (2,5-dimethylpiperazin-1-yl)-(3-propoxyphenyl)methanone.
What is the SMILES notation for (2,5-dimethylpiperazin-1-yl)-(3-propoxyphenyl)methanone?
The canonical SMILES for (2,5-dimethylpiperazin-1-yl)-(3-propoxyphenyl)methanone is CCCOc1cccc(C(=O)N2CC(C)NCC2C)c1.
What is the InChIKey of (2,5-dimethylpiperazin-1-yl)-(3-propoxyphenyl)methanone?
The InChIKey is HXTZHNQQBPDUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-8-20-15-7-5-6-14(9-15)16(19)18-11-12(2)17-10-13(18)3/h5-7,9,12-13,17H,4,8,10-11H2,1-3H3.
What are the key properties of (2,5-dimethylpiperazin-1-yl)-(3-propoxyphenyl)methanone?
(2,5-dimethylpiperazin-1-yl)-(3-propoxyphenyl)methanone has a molecular weight of 276.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpiperazin-1-yl)-(3-propoxyphenyl)methanone is sourced from PubChem (CID 64979486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).