1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one

C15H20N2O2 — CID 112721883

IUPAC1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C15H20N2O2/c1-3-14(18)12-4-6-13(7-5-12)15(19)17-10-8-16(2)9-11-17/h4-7H,3,8-11H2,1-2H3
InChIKeyPAIQJUOIWWULAW-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.67
Rot. Bonds3

About 1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one

1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one (PubChem CID 112721883) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one
PubChem CID112721883
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C15H20N2O2/c1-3-14(18)12-4-6-13(7-5-12)15(19)17-10-8-16(2)9-11-17/h4-7H,3,8-11H2,1-2H3
InChIKeyPAIQJUOIWWULAW-UHFFFAOYSA-N
XLogP1.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
(4-iodophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 60628706
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
CID 58761975
(4-methylpiperazin-1-yl)-(4-prop-1-ynylphenyl)methanone
CID 123516187
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
N-tert-butyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046120
ethane;(4-methylpiperazin-1-yl)-(4-prop-1-ynylphenyl)methanone
CID 142080294
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593
(4-methylpiperazin-1-yl)-(4-prop-2-enoxyphenyl)methanone
CID 2995586

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one?
The IUPAC name of 1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one (CID 112721883) is 1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one is CCC(=O)c1ccc(C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one?
The InChIKey is PAIQJUOIWWULAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-14(18)12-4-6-13(7-5-12)15(19)17-10-8-16(2)9-11-17/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one?
1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one has a molecular weight of 260.34 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperazine-1-carbonyl)phenyl]propan-1-one is sourced from PubChem (CID 112721883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).